3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine

C15H18N2 — CID 113297407

IUPAC3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
SMILESCc1cncc(CC(CN)c2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-7-13(11-17-10-12)8-15(9-16)14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,16H2,1H3
InChIKeyLLVCAPWJYSEKTB-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds4

About 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine

3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine (PubChem CID 113297407) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
PubChem CID113297407
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
SMILESCc1cncc(CC(CN)c2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-7-13(11-17-10-12)8-15(9-16)14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,16H2,1H3
InChIKeyLLVCAPWJYSEKTB-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
CID 113456145
[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
CID 154725709
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine (CID 113297407) is 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine is Cc1cncc(CC(CN)c2ccccc2)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine?
The InChIKey is LLVCAPWJYSEKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-7-13(11-17-10-12)8-15(9-16)14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,16H2,1H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine?
3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 113297407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).