1-(4-amino-3-chlorophenyl)ethanol

C8H10ClNO — CID 126971129

IUPAC1-(4-amino-3-chlorophenyl)ethanol
SMILESCC(O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,10H2,1H3
InChIKeyQNBBAXOWMQYWJP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.98
Rot. Bonds1

About 1-(4-amino-3-chlorophenyl)ethanol

1-(4-amino-3-chlorophenyl)ethanol (PubChem CID 126971129) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)ethanol
PubChem CID126971129
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(4-amino-3-chlorophenyl)ethanol
SMILESCC(O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,10H2,1H3
InChIKeyQNBBAXOWMQYWJP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1-amino-2-methylpropyl)-2-chloroaniline
CID 55271979
1-[3-chloro-4-(2-methylpropylsulfanyl)phenyl]ethanol
CID 63814172
3-[2-chloro-4-(1-hydroxyethyl)phenyl]sulfanylbutan-2-ol
CID 107772304
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
1-[4-(bromomethyl)-3-chlorophenyl]ethanol
CID 54433741
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
1-(4-butylsulfanyl-3-chlorophenyl)ethanol
CID 63835923
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 55239857
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)ethanol?
The IUPAC name of 1-(4-amino-3-chlorophenyl)ethanol (CID 126971129) is 1-(4-amino-3-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)ethanol is CC(O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)ethanol?
The InChIKey is QNBBAXOWMQYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,10H2,1H3.
What are the key properties of 1-(4-amino-3-chlorophenyl)ethanol?
1-(4-amino-3-chlorophenyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)ethanol is sourced from PubChem (CID 126971129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).