(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine

C15H18N2 — CID 28669648

IUPAC(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccncc2)cc1
InChIInChI=1S/C15H18N2/c1-12-3-5-15(6-4-12)13(2)17-11-14-7-9-16-10-8-14/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1
InChIKeyFOYVHJSCECQLCS-ZDUSSCGKSA-N
MW226.32 g/mol
LogP3.24
Rot. Bonds4

About (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine

(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 28669648) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID28669648
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccncc2)cc1
InChIInChI=1S/C15H18N2/c1-12-3-5-15(6-4-12)13(2)17-11-14-7-9-16-10-8-14/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1
InChIKeyFOYVHJSCECQLCS-ZDUSSCGKSA-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

(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1R)-1-(4-methylphenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437947
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 28669648) is (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine is Cc1ccc([C@H](C)NCc2ccncc2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is FOYVHJSCECQLCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-3-5-15(6-4-12)13(2)17-11-14-7-9-16-10-8-14/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
(1S)-1-(4-methylphenyl)-N-(pyridin-4-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 (1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 28669648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).