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

C9H13Cl2NO — CID 119031530

IUPAC3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
SMILESCl.NCC(CO)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO.ClH/c10-9-3-1-2-7(4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H
InChIKeyXAYBRKGJUDOEAX-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.80
Rot. Bonds3

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

3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride (PubChem CID 119031530) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
PubChem CID119031530
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
SMILESCl.NCC(CO)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO.ClH/c10-9-3-1-2-7(4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H
InChIKeyXAYBRKGJUDOEAX-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.80
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 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride (CID 119031530) is 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride is Cl.NCC(CO)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride?
The InChIKey is XAYBRKGJUDOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c10-9-3-1-2-7(4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H.
What are the key properties of 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride?
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 119031530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).