(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C16H20N2 — CID 103954544

IUPAC(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ncccc2C)cc1
InChIInChI=1S/C16H20N2/c1-12-6-8-15(9-7-12)14(3)18-11-16-13(2)5-4-10-17-16/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyIDRUVQZKUUUDGQ-AWEZNQCLSA-N
MW240.35 g/mol
LogP3.55
Rot. Bonds4

About (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 103954544) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID103954544
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ncccc2C)cc1
InChIInChI=1S/C16H20N2/c1-12-6-8-15(9-7-12)14(3)18-11-16-13(2)5-4-10-17-16/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyIDRUVQZKUUUDGQ-AWEZNQCLSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 103954544) is (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is Cc1ccc([C@H](C)NCc2ncccc2C)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is IDRUVQZKUUUDGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-6-8-15(9-7-12)14(3)18-11-16-13(2)5-4-10-17-16/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.55, 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-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103954544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).