N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine

C17H22N2 — CID 79007946

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ncccc1C
InChIInChI=1S/C17H22N2/c1-3-16(12-15-9-5-4-6-10-15)19-13-17-14(2)8-7-11-18-17/h4-11,16,19H,3,12-13H2,1-2H3
InChIKeyWHWUVQVFBONAEK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.50
Rot. Bonds6

About N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine

N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine (PubChem CID 79007946) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
PubChem CID79007946
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ncccc1C
InChIInChI=1S/C17H22N2/c1-3-16(12-15-9-5-4-6-10-15)19-13-17-14(2)8-7-11-18-17/h4-11,16,19H,3,12-13H2,1-2H3
InChIKeyWHWUVQVFBONAEK-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-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

Related Compounds

1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
CID 79008069
1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
CID 103910707
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpentan-1-amine
CID 63305743
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79008418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine (CID 79007946) is N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCc1ncccc1C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine?
The InChIKey is WHWUVQVFBONAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-16(12-15-9-5-4-6-10-15)19-13-17-14(2)8-7-11-18-17/h4-11,16,19H,3,12-13H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine?
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 79007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).