2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine

C15H18N2 — CID 54911208

IUPAC2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
SMILESCc1cc(C)cc(CC(N)c2ccncc2)c1
InChIInChI=1S/C15H18N2/c1-11-7-12(2)9-13(8-11)10-15(16)14-3-5-17-6-4-14/h3-9,15H,10,16H2,1-2H3
InChIKeyKBHBLEGUSFUSAW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine

2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine (PubChem CID 54911208) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
PubChem CID54911208
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
SMILESCc1cc(C)cc(CC(N)c2ccncc2)c1
InChIInChI=1S/C15H18N2/c1-11-7-12(2)9-13(8-11)10-15(16)14-3-5-17-6-4-14/h3-9,15H,10,16H2,1-2H3
InChIKeyKBHBLEGUSFUSAW-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549860
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 61028896
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine (CID 54911208) is 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine is Cc1cc(C)cc(CC(N)c2ccncc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine?
The InChIKey is KBHBLEGUSFUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-12(2)9-13(8-11)10-15(16)14-3-5-17-6-4-14/h3-9,15H,10,16H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine?
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 54911208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).