3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine

C17H22N2 — CID 103614627

IUPAC3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-14(2)17(15-8-4-3-5-9-15)13-18-12-16-10-6-7-11-19-16/h3-11,14,17-18H,12-13H2,1-2H3
InChIKeyVSWPQDDOYIXLEK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.61
Rot. Bonds6

About 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine

3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 103614627) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID103614627
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-14(2)17(15-8-4-3-5-9-15)13-18-12-16-10-6-7-11-19-16/h3-11,14,17-18H,12-13H2,1-2H3
InChIKeyVSWPQDDOYIXLEK-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-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

2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
CID 103617029
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine (CID 103614627) is 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine is CC(C)C(CNCc1ccccn1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is VSWPQDDOYIXLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(2)17(15-8-4-3-5-9-15)13-18-12-16-10-6-7-11-19-16/h3-11,14,17-18H,12-13H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine?
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 103614627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).