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

C16H20N2 — CID 43225601

IUPAC2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(2)16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-11,13,16,18H,12H2,1-2H3
InChIKeyOONNYZDBVBLKTL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.57
Rot. Bonds5

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

2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 43225601) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID43225601
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(2)16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-11,13,16,18H,12H2,1-2H3
InChIKeyOONNYZDBVBLKTL-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 115898770
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 43225601) is 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine is CC(C)C(NCc1cccnc1)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is OONNYZDBVBLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(2)16(15-8-4-3-5-9-15)18-12-14-7-6-10-17-11-14/h3-11,13,16,18H,12H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine?
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43225601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).