1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine

C23H28FN3 — CID 167557553

IUPAC1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine
SMILESCc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F
InChIInChI=1S/C23H28FN3/c1-17-10-11-19(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/h4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3
InChIKeyFFVAIPPQANONSI-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.69
Rot. Bonds8

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-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine (PubChem CID 167557553) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine
PubChem CID167557553
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine
SMILESCc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F
InChIInChI=1S/C23H28FN3/c1-17-10-11-19(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/h4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3
InChIKeyFFVAIPPQANONSI-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[4-(2-methylpyrazol-3-yl)phenyl]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;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine;1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
CID 167662770
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;N-[3-(4-fluorophenyl)propyl]-1-(1H-indol-3-yl)propan-2-amine;N-[3-(4-fluorophenyl)propyl]-1-phenylpropan-2-amine;1-(4-methylphenyl)-N-[3-[4-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine;bis(1-(4-methylphenyl)-N-(3-pyridin-4-ylpropyl)propan-2-amine);1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
CID 167607683
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
N-[3-(4-tert-butylphenyl)propyl]-1-(3,4-difluorophenyl)propan-2-amine
CID 165377963
2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
CID 167564412
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
6-[3-[1-(3,4-difluorophenyl)propan-2-ylamino]propyl]-3H-2-benzofuran-1-one;molecular hydrogen
CID 170631472
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843

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?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine (CID 167557553) is 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]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?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine is Cc1ccc(CC(C)NCCCc2ccccc2-c2ccnn2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[3-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine?
The InChIKey is FFVAIPPQANONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3/c1-17-10-11-19(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/h4-5,7,9-12,14,16,18,25H,6,8,13,15H2,1-3H3.
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-[2-(2-methylpyrazol-3-yl)phenyl]propyl]propan-2-amine has a molecular weight of 365.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 167557553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).