1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine

C14H16N2 — CID 115375072

IUPAC1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
SMILESCc1cncc(-c2ccccc2C(C)N)c1
InChIInChI=1S/C14H16N2/c1-10-7-12(9-16-8-10)14-6-4-3-5-13(14)11(2)15/h3-9,11H,15H2,1-2H3
InChIKeyWCINRTJAAOPZBH-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.08
Rot. Bonds2

About 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine

1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine (PubChem CID 115375072) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
PubChem CID115375072
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
SMILESCc1cncc(-c2ccccc2C(C)N)c1
InChIInChI=1S/C14H16N2/c1-10-7-12(9-16-8-10)14-6-4-3-5-13(14)11(2)15/h3-9,11H,15H2,1-2H3
InChIKeyWCINRTJAAOPZBH-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 94457197
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
CID 114879147
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
(1R)-1-[2-(4-chlorophenyl)phenyl]ethanamine
CID 93460583
3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
3-(2,6-dimethylphenyl)-5-methylpyridine
CID 146182914
1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
CID 54910087
3-methyl-4-(5-methyl-3-pyridinyl)aniline
CID 115375020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine (CID 115375072) is 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine is Cc1cncc(-c2ccccc2C(C)N)c1.
What is the InChIKey of 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine?
The InChIKey is WCINRTJAAOPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-7-12(9-16-8-10)14-6-4-3-5-13(14)11(2)15/h3-9,11H,15H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine?
1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine has a molecular weight of 212.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine is sourced from PubChem (CID 115375072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).