1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine

C16H20N2 — CID 66274369

IUPAC1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cnccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-11-5-6-14(9-13(11)3)16(4,17)15-10-18-8-7-12(15)2/h5-10H,17H2,1-4H3
InChIKeyWMSHQGWWMXZJKC-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.23
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine

1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 66274369) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID66274369
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cnccc2C)cc1C
InChIInChI=1S/C16H20N2/c1-11-5-6-14(9-13(11)3)16(4,17)15-10-18-8-7-12(15)2/h5-10H,17H2,1-4H3
InChIKeyWMSHQGWWMXZJKC-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 66274369) is 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(C)(N)c2cnccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is WMSHQGWWMXZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-5-6-14(9-13(11)3)16(4,17)15-10-18-8-7-12(15)2/h5-10H,17H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 66274369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).