(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C15H18N2 — CID 28670989

IUPAC(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cccnc2)cc1
InChIInChI=1S/C15H18N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1
InChIKeyCKEFYEYXKMDWLR-CYBMUJFWSA-N
MW226.32 g/mol
LogP3.24
Rot. Bonds4

About (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 28670989) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID28670989
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cccnc2)cc1
InChIInChI=1S/C15H18N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1
InChIKeyCKEFYEYXKMDWLR-CYBMUJFWSA-N
XLogP3.24
TPSA24.92 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 94535067
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 28670989) is (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is Cc1ccc([C@@H](C)NCc2cccnc2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is CKEFYEYXKMDWLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h3-10,13,17H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 28670989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).