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

C20H27N — CID 82540465

IUPAC1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(-c2ccc(C)c(C)c2)cc1)C(C)C
InChIInChI=1S/C20H27N/c1-14(2)20(21-5)13-17-7-10-18(11-8-17)19-9-6-15(3)16(4)12-19/h6-12,14,20-21H,13H2,1-5H3
InChIKeyKATWZYCLFYJBHQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.76
Rot. Bonds5

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

1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine (PubChem CID 82540465) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
PubChem CID82540465
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(-c2ccc(C)c(C)c2)cc1)C(C)C
InChIInChI=1S/C20H27N/c1-14(2)20(21-5)13-17-7-10-18(11-8-17)19-9-6-15(3)16(4)12-19/h6-12,14,20-21H,13H2,1-5H3
InChIKeyKATWZYCLFYJBHQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
CID 63202313
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
N,4-dimethyl-1-(4-phenylphenyl)pentan-3-amine
CID 65455710
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine (CID 82540465) is 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine is CNC(Cc1ccc(-c2ccc(C)c(C)c2)cc1)C(C)C.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine?
The InChIKey is KATWZYCLFYJBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14(2)20(21-5)13-17-7-10-18(11-8-17)19-9-6-15(3)16(4)12-19/h6-12,14,20-21H,13H2,1-5H3.
What are the key properties of 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine?
1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 82540465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).