2-methyl-1,1-diphenylhexan-3-amine

C19H25N — CID 83047736

IUPAC2-methyl-1,1-diphenylhexan-3-amine
SMILESCCCC(N)C(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-10-18(20)15(2)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10,20H2,1-2H3
InChIKeyJXTITASCZRHAGY-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.58
Rot. Bonds6

About 2-methyl-1,1-diphenylhexan-3-amine

2-methyl-1,1-diphenylhexan-3-amine (PubChem CID 83047736) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-1,1-diphenylhexan-3-amine.

Molecular Properties

Compound Name2-methyl-1,1-diphenylhexan-3-amine
PubChem CID83047736
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-methyl-1,1-diphenylhexan-3-amine
SMILESCCCC(N)C(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-10-18(20)15(2)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10,20H2,1-2H3
InChIKeyJXTITASCZRHAGY-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1,1-diphenylhexan-3-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-methyl-1,1-diphenylheptan-2-amine
CID 63412141
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine
CID 59951948
1,1-diphenylhexan-2-amine;hydrate
CID 173442178
1,1-diphenylheptan-2-amine;hydrate
CID 173442268
2-methyl-6,6-diphenylhexane-1,5-diamine
CID 174986807
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
pentan-2-ylbenzene
CID 17627
dilithium;hydride;(2-methyl-1,3,3-triphenylpropyl)benzene
CID 173113616
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-diphenylhexan-3-amine?
The IUPAC name of 2-methyl-1,1-diphenylhexan-3-amine (CID 83047736) is 2-methyl-1,1-diphenylhexan-3-amine.
What is the SMILES notation for 2-methyl-1,1-diphenylhexan-3-amine?
The canonical SMILES for 2-methyl-1,1-diphenylhexan-3-amine is CCCC(N)C(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1,1-diphenylhexan-3-amine?
The InChIKey is JXTITASCZRHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-10-18(20)15(2)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10,20H2,1-2H3.
What are the key properties of 2-methyl-1,1-diphenylhexan-3-amine?
2-methyl-1,1-diphenylhexan-3-amine has a molecular weight of 267.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-diphenylhexan-3-amine is sourced from PubChem (CID 83047736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).