2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine

C16H20N2 — CID 83972764

IUPAC2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2ccccn2)cc1C
InChIInChI=1S/C16H20N2/c1-12-6-7-14(9-13(12)2)15(11-17)10-16-5-3-4-8-18-16/h3-9,15H,10-11,17H2,1-2H3
InChIKeyAFTVBPUIZNSAJL-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.98
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine

2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 83972764) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
PubChem CID83972764
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2ccccn2)cc1C
InChIInChI=1S/C16H20N2/c1-12-6-7-14(9-13(12)2)15(11-17)10-16-5-3-4-8-18-16/h3-9,15H,10-11,17H2,1-2H3
InChIKeyAFTVBPUIZNSAJL-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974993

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine (CID 83972764) is 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine is Cc1ccc(C(CN)Cc2ccccn2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is AFTVBPUIZNSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-6-7-14(9-13(12)2)15(11-17)10-16-5-3-4-8-18-16/h3-9,15H,10-11,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine?
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83972764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).