1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine

C17H21N — CID 61033915

IUPAC1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1-c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N/c1-12-9-10-15(11-13(12)2)17-8-6-5-7-16(17)14(3)18-4/h5-11,14,18H,1-4H3
InChIKeyJTNRZXYSBRXMOS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.25
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine

1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine (PubChem CID 61033915) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine
PubChem CID61033915
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1-c1ccc(C)c(C)c1
InChIInChI=1S/C17H21N/c1-12-9-10-15(11-13(12)2)17-8-6-5-7-16(17)14(3)18-4/h5-11,14,18H,1-4H3
InChIKeyJTNRZXYSBRXMOS-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine (CID 61033915) is 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1-c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine?
The InChIKey is JTNRZXYSBRXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-9-10-15(11-13(12)2)17-8-6-5-7-16(17)14(3)18-4/h5-11,14,18H,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine?
1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine has a molecular weight of 239.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 61033915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).