6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol

C20H27NO — CID 121454673

IUPAC6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol
SMILESCC(O)CC(C)(C)C(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-15(22)13-20(2,3)19(14-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,22H,13-14,21H2,1-3H3
InChIKeyWFSWQNOYIXLQRZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.19
Rot. Bonds6

About 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol

6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol (PubChem CID 121454673) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol
PubChem CID121454673
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol
SMILESCC(O)CC(C)(C)C(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-15(22)13-20(2,3)19(14-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,22H,13-14,21H2,1-3H3
InChIKeyWFSWQNOYIXLQRZ-UHFFFAOYSA-N
XLogP4.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol 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

3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
2-phenyl-2-(4-phenylphenyl)ethanamine
CID 44719858
1-aminopropan-2-ol;toluene
CID 89389422
2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
CID 10319715
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
5-amino-4,4-diphenylpentan-2-ol
CID 24973034
2-(4-phenylphenyl)pentan-3-amine
CID 79308070
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol?
The IUPAC name of 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol (CID 121454673) is 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol.
What is the SMILES notation for 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol?
The canonical SMILES for 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol is CC(O)CC(C)(C)C(CN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol?
The InChIKey is WFSWQNOYIXLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15(22)13-20(2,3)19(14-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,22H,13-14,21H2,1-3H3.
What are the key properties of 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol?
6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol has a molecular weight of 297.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol is sourced from PubChem (CID 121454673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).