N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine

C187H234BrF8N19 — CID 167591734

IUPACN-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
SMILESCC(Cc1c[nH]c2ccccc12)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccc(Br)cc1.CC(Cc1ccccc1)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccncc1.Cc1cc(CC(C)NCCCc2ccccc2-c2ccnn2C)ccc1F.Cc1cc(CC(C)NCCCc2ccnc(C(F)(F)F)c2)ccc1F.Cc1cc(CC(C)NCCCc2ccncc2)ccc1F.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1
InChIInChI=1S/C23H28FN3.C20H23FN2.C19H22F4N2.C18H22BrN.C18H23FN2.C18H22FN.3C18H24N2.C17H22N2/c1-17-15-19(10-11-22(17)24)16-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-15(13-17-14-23-20-7-3-2-6-19(17)20)22-12-4-5-16-8-10-18(21)11-9-16;1-13-10-16(5-6-17(13)20)11-14(2)24-8-3-4-15-7-9-25-18(12-15)19(21,22)23;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;1-14-12-17(5-6-18(14)19)13-15(2)21-9-3-4-16-7-10-20-11-8-16;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;3*1-15-5-7-18(8-6-15)14-16(2)20-11-3-4-17-9-12-19-13-10-17;1-15(14-17-6-3-2-4-7-17)19-11-5-8-16-9-12-18-13-10-16/h4-5,7,9-12,14-15,18,25H,6,8,13,16H2,1-3H3;2-3,6-11,14-15,22-23H,4-5,12-13H2,1H3;5-7,9-10,12,14,24H,3-4,8,11H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;5-8,10-12,15,21H,3-4,9,13H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;3*5-10,12-13,16,20H,3-4,11,14H2,1-2H3;2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3
InChIKeyINIODJYQFBNPFP-UHFFFAOYSA-N
MW2979.95 g/mol
LogP39.98
Rot. Bonds71

About N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine

N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine (PubChem CID 167591734) has the molecular formula C187H234BrF8N19 and a molecular weight of 2979.95 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
PubChem CID167591734
Molecular FormulaC187H234BrF8N19
Molecular Weight2979.95 g/mol
Exact Mass2976.80
IUPAC NameN-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
SMILESCC(Cc1c[nH]c2ccccc12)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccc(Br)cc1.CC(Cc1ccccc1)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccncc1.Cc1cc(CC(C)NCCCc2ccccc2-c2ccnn2C)ccc1F.Cc1cc(CC(C)NCCCc2ccnc(C(F)(F)F)c2)ccc1F.Cc1cc(CC(C)NCCCc2ccncc2)ccc1F.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1
InChIInChI=1S/C23H28FN3.C20H23FN2.C19H22F4N2.C18H22BrN.C18H23FN2.C18H22FN.3C18H24N2.C17H22N2/c1-17-15-19(10-11-22(17)24)16-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-15(13-17-14-23-20-7-3-2-6-19(17)20)22-12-4-5-16-8-10-18(21)11-9-16;1-13-10-16(5-6-17(13)20)11-14(2)24-8-3-4-15-7-9-25-18(12-15)19(21,22)23;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;1-14-12-17(5-6-18(14)19)13-15(2)21-9-3-4-16-7-10-20-11-8-16;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;3*1-15-5-7-18(8-6-15)14-16(2)20-11-3-4-17-9-12-19-13-10-17;1-15(14-17-6-3-2-4-7-17)19-11-5-8-16-9-12-18-13-10-16/h4-5,7,9-12,14-15,18,25H,6,8,13,16H2,1-3H3;2-3,6-11,14-15,22-23H,4-5,12-13H2,1H3;5-7,9-10,12,14,24H,3-4,8,11H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;5-8,10-12,15,21H,3-4,9,13H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;3*5-10,12-13,16,20H,3-4,11,14H2,1-2H3;2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3
InChIKeyINIODJYQFBNPFP-UHFFFAOYSA-N
XLogP39.98
TPSA231.25 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds71
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002979.95
LogP ≤ 539.98
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine?
The IUPAC name of N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine (CID 167591734) is N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine?
The canonical SMILES for N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine is CC(Cc1c[nH]c2ccccc12)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccc(Br)cc1.CC(Cc1ccccc1)NCCCc1ccc(F)cc1.CC(Cc1ccccc1)NCCCc1ccncc1.Cc1cc(CC(C)NCCCc2ccccc2-c2ccnn2C)ccc1F.Cc1cc(CC(C)NCCCc2ccnc(C(F)(F)F)c2)ccc1F.Cc1cc(CC(C)NCCCc2ccncc2)ccc1F.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.Cc1ccc(CC(C)NCCCc2ccncc2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine?
The InChIKey is INIODJYQFBNPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3.C20H23FN2.C19H22F4N2.C18H22BrN.C18H23FN2.C18H22FN.3C18H24N2.C17H22N2/c1-17-15-19(10-11-22(17)24)16-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-15(13-17-14-23-20-7-3-2-6-19(17)20)22-12-4-5-16-8-10-18(21)11-9-16;1-13-10-16(5-6-17(13)20)11-14(2)24-8-3-4-15-7-9-25-18(12-15)19(21,22)23;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;1-14-12-17(5-6-18(14)19)13-15(2)21-9-3-4-16-7-10-20-11-8-16;1-15(14-17-6-3-2-4-7-17)20-13-5-8-16-9-11-18(19)12-10-16;3*1-15-5-7-18(8-6-15)14-16(2)20-11-3-4-17-9-12-19-13-10-17;1-15(14-17-6-3-2-4-7-17)19-11-5-8-16-9-12-18-13-10-16/h4-5,7,9-12,14-15,18,25H,6,8,13,16H2,1-3H3;2-3,6-11,14-15,22-23H,4-5,12-13H2,1H3;5-7,9-10,12,14,24H,3-4,8,11H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;5-8,10-12,15,21H,3-4,9,13H2,1-2H3;2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3;3*5-10,12-13,16,20H,3-4,11,14H2,1-2H3;2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine?
N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine has a molecular weight of 2979.95 g/mol, XLogP of 39.98, 71 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)propyl]-1-phenylpropan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-(4-fluoro-3-methylphenyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]propyl]propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;tris(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine is sourced from PubChem (CID 167591734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).