3-(2-amino-6-chlorophenyl)propan-1-ol

C9H12ClNO — CID 11263901

IUPAC3-(2-amino-6-chlorophenyl)propan-1-ol
SMILESNc1cccc(Cl)c1CCCO
InChIInChI=1S/C9H12ClNO/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5,12H,2-3,6,11H2
InChIKeyLJHLCLOHKVIGGR-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.85
Rot. Bonds3

About 3-(2-amino-6-chlorophenyl)propan-1-ol

3-(2-amino-6-chlorophenyl)propan-1-ol (PubChem CID 11263901) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)propan-1-ol
PubChem CID11263901
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-(2-amino-6-chlorophenyl)propan-1-ol
SMILESNc1cccc(Cl)c1CCCO
InChIInChI=1S/C9H12ClNO/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5,12H,2-3,6,11H2
InChIKeyLJHLCLOHKVIGGR-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(2-amino-6-chlorophenyl)propan-1-ol (CID 11263901) is 3-(2-amino-6-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)propan-1-ol is Nc1cccc(Cl)c1CCCO.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)propan-1-ol?
The InChIKey is LJHLCLOHKVIGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5,12H,2-3,6,11H2.
What are the key properties of 3-(2-amino-6-chlorophenyl)propan-1-ol?
3-(2-amino-6-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chlorophenyl)propan-1-ol is sourced from PubChem (CID 11263901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).