N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine

C23H25N — CID 176844066

IUPACN,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine
SMILESCc1ccc(-c2cccc(-c3ccc(C(C)N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H25N/c1-17-8-10-20(11-9-17)22-6-5-7-23(16-22)21-14-12-19(13-15-21)18(2)24(3)4/h5-16,18H,1-4H3
InChIKeyKXGOUNJJVXUCPM-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.95
Rot. Bonds4

About N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine

N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine (PubChem CID 176844066) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine
PubChem CID176844066
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC NameN,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine
SMILESCc1ccc(-c2cccc(-c3ccc(C(C)N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H25N/c1-17-8-10-20(11-9-17)22-6-5-7-23(16-22)21-14-12-19(13-15-21)18(2)24(3)4/h5-16,18H,1-4H3
InChIKeyKXGOUNJJVXUCPM-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]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 N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine (CID 176844066) is N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine is Cc1ccc(-c2cccc(-c3ccc(C(C)N(C)C)cc3)c2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine?
The InChIKey is KXGOUNJJVXUCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-17-8-10-20(11-9-17)22-6-5-7-23(16-22)21-14-12-19(13-15-21)18(2)24(3)4/h5-16,18H,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine?
N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine has a molecular weight of 315.46 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 176844066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).