1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

C17H20N2 — CID 80707743

IUPAC1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)C2CC2)nc1
InChIInChI=1S/C17H20N2/c1-13-7-10-16(18-11-13)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3
InChIKeyWJLJBJZBLPDTKL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.63
Rot. Bonds5

About 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 80707743) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID80707743
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)C2CC2)nc1
InChIInChI=1S/C17H20N2/c1-13-7-10-16(18-11-13)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3
InChIKeyWJLJBJZBLPDTKL-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847899
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334
1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 84588098
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895187
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (CID 80707743) is 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is Cc1ccc(CNC(c2ccccc2)C2CC2)nc1.
What is the InChIKey of 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is WJLJBJZBLPDTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-7-10-16(18-11-13)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 80707743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).