1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine

C157H188F3N17 — CID 167557551

IUPAC1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1ccc(-c2cccnc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1F.Cc1ccc(CC(C)NCCCc2ccc3[nH]ccc3c2)cc1.Cc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F.Cc1ccc(CC(C)NCCCc2ccnc3ccccc23)cc1.Cc1ccc(CC(CF)NCCCc2ccnc3ccccc23)cc1
InChIInChI=1S/2C23H28FN3.C23H29N3.C23H26N2.C22H25FN2.C22H26N2.C21H26N2/c1-17-6-7-20(16-22(17)24)15-18(2)25-13-4-5-19-8-10-21(11-9-19)23-12-14-26-27(23)3;1-17-10-11-19(16-22(17)24)15-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-18-6-8-21(9-7-18)17-19(2)24-15-4-5-20-10-12-22(13-11-20)23-14-16-25-26(23)3;1-19(17-21-7-3-2-4-8-21)25-16-5-9-20-11-13-22(14-12-20)23-10-6-15-24-18-23;1-17-8-10-18(11-9-17)15-20(16-23)24-13-4-5-19-12-14-25-22-7-3-2-6-21(19)22;1-17-9-11-19(12-10-17)16-18(2)23-14-5-6-20-13-15-24-22-8-4-3-7-21(20)22;1-16-5-7-19(8-6-16)14-17(2)22-12-3-4-18-9-10-21-20(15-18)11-13-23-21/h6-12,14,16,18,25H,4-5,13,15H2,1-3H3;4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3;6-14,16,19,24H,4-5,15,17H2,1-3H3;2-4,6-8,10-15,18-19,25H,5,9,16-17H2,1H3;2-3,6-12,14,20,24H,4-5,13,15-16H2,1H3;3-4,7-13,15,18,23H,5-6,14,16H2,1-2H3;5-11,13,15,17,22-23H,3-4,12,14H2,1-2H3
InChIKeyDFAUTYNXSMIMBQ-UHFFFAOYSA-N
MW2370.34 g/mol
LogP32.80
Rot. Bonds54

About 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine

1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine (PubChem CID 167557551) has the molecular formula C157H188F3N17 and a molecular weight of 2370.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine
PubChem CID167557551
Molecular FormulaC157H188F3N17
Molecular Weight2370.34 g/mol
Exact Mass2368.52
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1ccc(-c2cccnc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1F.Cc1ccc(CC(C)NCCCc2ccc3[nH]ccc3c2)cc1.Cc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F.Cc1ccc(CC(C)NCCCc2ccnc3ccccc23)cc1.Cc1ccc(CC(CF)NCCCc2ccnc3ccccc23)cc1
InChIInChI=1S/2C23H28FN3.C23H29N3.C23H26N2.C22H25FN2.C22H26N2.C21H26N2/c1-17-6-7-20(16-22(17)24)15-18(2)25-13-4-5-19-8-10-21(11-9-19)23-12-14-26-27(23)3;1-17-10-11-19(16-22(17)24)15-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-18-6-8-21(9-7-18)17-19(2)24-15-4-5-20-10-12-22(13-11-20)23-14-16-25-26(23)3;1-19(17-21-7-3-2-4-8-21)25-16-5-9-20-11-13-22(14-12-20)23-10-6-15-24-18-23;1-17-8-10-18(11-9-17)15-20(16-23)24-13-4-5-19-12-14-25-22-7-3-2-6-21(19)22;1-17-9-11-19(12-10-17)16-18(2)23-14-5-6-20-13-15-24-22-8-4-3-7-21(20)22;1-16-5-7-19(8-6-16)14-17(2)22-12-3-4-18-9-10-21-20(15-18)11-13-23-21/h6-12,14,16,18,25H,4-5,13,15H2,1-3H3;4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3;6-14,16,19,24H,4-5,15,17H2,1-3H3;2-4,6-8,10-15,18-19,25H,5,9,16-17H2,1H3;2-3,6-12,14,20,24H,4-5,13,15-16H2,1H3;3-4,7-13,15,18,23H,5-6,14,16H2,1-2H3;5-11,13,15,17,22-23H,3-4,12,14H2,1-2H3
InChIKeyDFAUTYNXSMIMBQ-UHFFFAOYSA-N
XLogP32.80
TPSA192.13 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.34
LogP ≤ 532.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine with MolForge

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Related Compounds

CID 145744928
CID 145744928
CID 3088105
CID 3088105
CID 3088106
CID 3088106
CID 3074674
CID 3074674
CID 3087589
CID 3087589
CID 169209546
CID 169209546
CID 169209550
CID 169209550
CID 169209624
CID 169209624
CID 169209657
CID 169209657
CID 16158938
CID 16158938
CID 163663675
CID 163663675
CID 10174659
CID 10174659

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine (CID 167557551) is 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine is CC(Cc1ccccc1)NCCCc1ccc(-c2cccnc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1.Cc1ccc(CC(C)NCCCc2ccc(-c3ccnn3C)cc2)cc1F.Cc1ccc(CC(C)NCCCc2ccc3[nH]ccc3c2)cc1.Cc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F.Cc1ccc(CC(C)NCCCc2ccnc3ccccc23)cc1.Cc1ccc(CC(CF)NCCCc2ccnc3ccccc23)cc1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine?
The InChIKey is DFAUTYNXSMIMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28FN3.C23H29N3.C23H26N2.C22H25FN2.C22H26N2.C21H26N2/c1-17-6-7-20(16-22(17)24)15-18(2)25-13-4-5-19-8-10-21(11-9-19)23-12-14-26-27(23)3;1-17-10-11-19(16-22(17)24)15-18(2)25-13-6-8-20-7-4-5-9-21(20)23-12-14-26-27(23)3;1-18-6-8-21(9-7-18)17-19(2)24-15-4-5-20-10-12-22(13-11-20)23-14-16-25-26(23)3;1-19(17-21-7-3-2-4-8-21)25-16-5-9-20-11-13-22(14-12-20)23-10-6-15-24-18-23;1-17-8-10-18(11-9-17)15-20(16-23)24-13-4-5-19-12-14-25-22-7-3-2-6-21(19)22;1-17-9-11-19(12-10-17)16-18(2)23-14-5-6-20-13-15-24-22-8-4-3-7-21(20)22;1-16-5-7-19(8-6-16)14-17(2)22-12-3-4-18-9-10-21-20(15-18)11-13-23-21/h6-12,14,16,18,25H,4-5,13,15H2,1-3H3;4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3;6-14,16,19,24H,4-5,15,17H2,1-3H3;2-4,6-8,10-15,18-19,25H,5,9,16-17H2,1H3;2-3,6-12,14,20,24H,4-5,13,15-16H2,1H3;3-4,7-13,15,18,23H,5-6,14,16H2,1-2H3;5-11,13,15,17,22-23H,3-4,12,14H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine?
1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine has a molecular weight of 2370.34 g/mol, XLogP of 32.80, 54 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(3-fluoro-4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-fluoro-3-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;N-[3-(1H-indol-5-yl)propyl]-1-(4-methylphenyl)propan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-quinolin-4-ylpropyl)propan-2-amine;1-phenyl-N-[3-(4-pyridin-3-ylphenyl)propyl]propan-2-amine is sourced from PubChem (CID 167557551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).