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

C9H12ClNO — CID 62009660

IUPAC1-amino-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(CN)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-9(12,6-11)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3
InChIKeyKIFVYNJHKVIKES-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.51
Rot. Bonds2

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

1-amino-2-(3-chlorophenyl)propan-2-ol (PubChem CID 62009660) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-amino-2-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3-chlorophenyl)propan-2-ol
PubChem CID62009660
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-amino-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(CN)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-9(12,6-11)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3
InChIKeyKIFVYNJHKVIKES-UHFFFAOYSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(3-chlorophenyl)propan-2-ol (CID 62009660) is 1-amino-2-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(3-chlorophenyl)propan-2-ol is CC(O)(CN)c1cccc(Cl)c1.
What is the InChIKey of 1-amino-2-(3-chlorophenyl)propan-2-ol?
The InChIKey is KIFVYNJHKVIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-9(12,6-11)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3.
What are the key properties of 1-amino-2-(3-chlorophenyl)propan-2-ol?
1-amino-2-(3-chlorophenyl)propan-2-ol has a molecular weight of 185.65 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 62009660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).