2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine

C17H22N2 — CID 62996333

IUPAC2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccc(CNC(c2ccccc2)C(C)C)cn1
InChIInChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-12-15-10-9-14(3)18-11-15/h4-11,13,17,19H,12H2,1-3H3
InChIKeyCAZVCOZYUKKWQZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.88
Rot. Bonds5

About 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine (PubChem CID 62996333) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
PubChem CID62996333
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccc(CNC(c2ccccc2)C(C)C)cn1
InChIInChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-12-15-10-9-14(3)18-11-15/h4-11,13,17,19H,12H2,1-3H3
InChIKeyCAZVCOZYUKKWQZ-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
3-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 62996928
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
N'-hydroxy-2-[(6-methyl-3-pyridinyl)methylamino]propanimidamide
CID 77032579
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
CID 62996331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine (CID 62996333) is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine is Cc1ccc(CNC(c2ccccc2)C(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is CAZVCOZYUKKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-12-15-10-9-14(3)18-11-15/h4-11,13,17,19H,12H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 62996333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).