2-(2-amino-6-chlorophenyl)ethanol

C8H10ClNO — CID 713100

IUPAC2-(2-amino-6-chlorophenyl)ethanol
SMILESNc1cccc(Cl)c1CCO
InChIInChI=1S/C8H10ClNO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5,10H2
InChIKeyPVBOKNRVNJCKRR-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.46
Rot. Bonds2

About 2-(2-amino-6-chlorophenyl)ethanol

2-(2-amino-6-chlorophenyl)ethanol (PubChem CID 713100) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)ethanol
PubChem CID713100
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(2-amino-6-chlorophenyl)ethanol
SMILESNc1cccc(Cl)c1CCO
InChIInChI=1S/C8H10ClNO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5,10H2
InChIKeyPVBOKNRVNJCKRR-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

o-Aminophenethyl alcohol
CID 79282
2-Amino-5-chlorobenzyl alcohol
CID 586754
(5-Amino-2-chlorophenyl)methanol
CID 13567962
(2-Amino-4-chlorophenyl)methanol
CID 4134900
(4-Amino-2-chlorophenyl)methanol
CID 25235954
(2-Amino-6-chlorophenyl)methanol
CID 21925574
2-(2-Chloro-6-nitrophenyl)ethanol
CID 700810
(3-Amino-5-chlorophenyl)methanol
CID 53418395
1-(2-Aminophenyl)propan-2-ol
CID 11240588
3-Chloro-2-(methoxymethyl)aniline
CID 23446885
3-Chloro-2-(methoxymethyl)aniline hydrochloride
CID 71756114
3-(2-Amino-6-chlorophenyl)propan-1-ol
CID 11263901

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-6-chlorophenyl)ethanol (CID 713100) is 2-(2-amino-6-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)ethanol is Nc1cccc(Cl)c1CCO.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)ethanol?
The InChIKey is PVBOKNRVNJCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5,10H2.
What are the key properties of 2-(2-amino-6-chlorophenyl)ethanol?
2-(2-amino-6-chlorophenyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)ethanol is sourced from PubChem (CID 713100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).