1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine

C16H20N2 — CID 66274156

IUPAC1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cnccc1C
InChIInChI=1S/C16H20N2/c1-3-10-16(17,14-7-5-4-6-8-14)15-12-18-11-9-13(15)2/h4-9,11-12H,3,10,17H2,1-2H3
InChIKeyHBRGCAMKLFHQTQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine

1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine (PubChem CID 66274156) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
PubChem CID66274156
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1cnccc1C
InChIInChI=1S/C16H20N2/c1-3-10-16(17,14-7-5-4-6-8-14)15-12-18-11-9-13(15)2/h4-9,11-12H,3,10,17H2,1-2H3
InChIKeyHBRGCAMKLFHQTQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
2-methyl-3-(4-methyl-3-pyridinyl)pentan-3-amine
CID 66274159
1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914
1-chloro-1-phenylbutan-1-amine
CID 174514762
1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
CID 106679845
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
1,1-diphenylpentan-1-amine
CID 10263654
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
CID 116696246
3-phenylhexan-3-amine
CID 60794511

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine (CID 66274156) is 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1cnccc1C.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine?
The InChIKey is HBRGCAMKLFHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-10-16(17,14-7-5-4-6-8-14)15-12-18-11-9-13(15)2/h4-9,11-12H,3,10,17H2,1-2H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine?
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 66274156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).