1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine

C16H20N2 — CID 62549860

IUPAC1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccncc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)15(13(3)9-11)10-16(17)14-4-6-18-7-5-14/h4-9,16H,10,17H2,1-3H3
InChIKeyWCFVVSQHDICSDE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.25
Rot. Bonds3

About 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine

1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62549860) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62549860
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccncc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)15(13(3)9-11)10-16(17)14-4-6-18-7-5-14/h4-9,16H,10,17H2,1-3H3
InChIKeyWCFVVSQHDICSDE-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
CID 60818981
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine (CID 62549860) is 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2ccncc2)c(C)c1.
What is the InChIKey of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is WCFVVSQHDICSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-12(2)15(13(3)9-11)10-16(17)14-4-6-18-7-5-14/h4-9,16H,10,17H2,1-3H3.
What are the key properties of 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine?
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).