4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol

C12H18ClNO — CID 79128366

IUPAC4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-11(2,8-14)12(3,15)9-4-6-10(13)7-5-9/h4-7,15H,8,14H2,1-3H3
InChIKeyZVJFVRFXZOXAIM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol

4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol (PubChem CID 79128366) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
PubChem CID79128366
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-11(2,8-14)12(3,15)9-4-6-10(13)7-5-9/h4-7,15H,8,14H2,1-3H3
InChIKeyZVJFVRFXZOXAIM-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
1-amino-1-(4-chlorophenyl)ethanol
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CID 82090050
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
CID 127003873
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
1-amino-3-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-2,2,4-trimethylhex-4-en-3-ol
CID 69340593
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
CID 12969771
1-amino-5-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2,2,4-trimethylhex-4-en-3-ol
CID 69339927
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol (CID 79128366) is 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol is CC(C)(CN)C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is ZVJFVRFXZOXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-11(2,8-14)12(3,15)9-4-6-10(13)7-5-9/h4-7,15H,8,14H2,1-3H3.
What are the key properties of 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol?
4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 79128366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).