1-amino-1-(4-chlorophenyl)ethanol

C8H10ClNO — CID 23370677

IUPAC1-amino-1-(4-chlorophenyl)ethanol
SMILESCC(N)(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,10H2,1H3
InChIKeyZJTGBFUOOQNANU-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.46
Rot. Bonds1

About 1-amino-1-(4-chlorophenyl)ethanol

1-amino-1-(4-chlorophenyl)ethanol (PubChem CID 23370677) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-amino-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-amino-1-(4-chlorophenyl)ethanol
PubChem CID23370677
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-amino-1-(4-chlorophenyl)ethanol
SMILESCC(N)(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,10H2,1H3
InChIKeyZJTGBFUOOQNANU-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-(3,5-dichlorophenyl)ethanol
CID 23370682
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
CID 79128366
4-(1-amino-1-hydroxyethyl)benzoic acid
CID 118177730
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-amino-2-(4-chlorophenyl)propanal
CID 174641123
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
CID 12969771

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-chlorophenyl)ethanol?
The IUPAC name of 1-amino-1-(4-chlorophenyl)ethanol (CID 23370677) is 1-amino-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-amino-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-amino-1-(4-chlorophenyl)ethanol is CC(N)(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-1-(4-chlorophenyl)ethanol?
The InChIKey is ZJTGBFUOOQNANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,10H2,1H3.
What are the key properties of 1-amino-1-(4-chlorophenyl)ethanol?
1-amino-1-(4-chlorophenyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 23370677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).