1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C17H22N2 — CID 43181287

IUPAC1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccccn2)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)16(14(3)10-12)11-19-15(4)17-7-5-6-8-18-17/h5-10,15,19H,11H2,1-4H3
InChIKeyMKNXMRDFEQFUTI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.86
Rot. Bonds4

About 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 43181287) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID43181287
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccccn2)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)16(14(3)10-12)11-19-15(4)17-7-5-6-8-18-17/h5-10,15,19H,11H2,1-4H3
InChIKeyMKNXMRDFEQFUTI-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
N-[(5-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 113349294
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3,5-difluoro-4-[(1-pyridin-2-ylethylamino)methyl]benzonitrile
CID 107037642

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 43181287) is 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2ccccn2)c(C)c1.
What is the InChIKey of 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is MKNXMRDFEQFUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-9-13(2)16(14(3)10-12)11-19-15(4)17-7-5-6-8-18-17/h5-10,15,19H,11H2,1-4H3.
What are the key properties of 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43181287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).