(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine

C27H33N — CID 173298083

IUPAC(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine
SMILESCC(C)c1cccc(C(CCc2ccccc2)[C@@H](N)CCc2ccccc2)c1
InChIInChI=1S/C27H33N/c1-21(2)24-14-9-15-25(20-24)26(18-16-22-10-5-3-6-11-22)27(28)19-17-23-12-7-4-8-13-23/h3-15,20-21,26-27H,16-19,28H2,1-2H3/t26?,27-/m0/s1
InChIKeyKCGRFXRZHSCXQI-GEVKEYJPSA-N
MW371.57 g/mol
LogP6.49
Rot. Bonds9

About (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine

(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine (PubChem CID 173298083) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine.

Molecular Properties

Compound Name(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine
PubChem CID173298083
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC Name(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine
SMILESCC(C)c1cccc(C(CCc2ccccc2)[C@@H](N)CCc2ccccc2)c1
InChIInChI=1S/C27H33N/c1-21(2)24-14-9-15-25(20-24)26(18-16-22-10-5-3-6-11-22)27(28)19-17-23-12-7-4-8-13-23/h3-15,20-21,26-27H,16-19,28H2,1-2H3/t26?,27-/m0/s1
InChIKeyKCGRFXRZHSCXQI-GEVKEYJPSA-N
XLogP6.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-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

(2S)-4-phenylbutan-2-amine
CID 6994564
2-amino-1,4-diphenylbutan-1-ol
CID 10847700
4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794244
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
(3-propan-2-ylphenyl)methanamine
CID 21085835
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
1,1-dimethoxy-4-phenylbutan-2-amine
CID 68520793
1-(3-benzylphenyl)ethanamine
CID 69109207

Frequently Asked Questions

What is the IUPAC name of (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine?
The IUPAC name of (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine (CID 173298083) is (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine.
What is the SMILES notation for (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine?
The canonical SMILES for (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine is CC(C)c1cccc(C(CCc2ccccc2)[C@@H](N)CCc2ccccc2)c1.
What is the InChIKey of (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine?
The InChIKey is KCGRFXRZHSCXQI-GEVKEYJPSA-N. The full InChI is InChI=1S/C27H33N/c1-21(2)24-14-9-15-25(20-24)26(18-16-22-10-5-3-6-11-22)27(28)19-17-23-12-7-4-8-13-23/h3-15,20-21,26-27H,16-19,28H2,1-2H3/t26?,27-/m0/s1.
What are the key properties of (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine?
(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine has a molecular weight of 371.57 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine is sourced from PubChem (CID 173298083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).