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

C9H12ClNO — CID 7096764

IUPAC(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
InChIKeyYQMOQQKIRFWPQL-VIFPVBQESA-N
MW185.65 g/mol
LogP1.72
Rot. Bonds3

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

(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol (PubChem CID 7096764) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
PubChem CID7096764
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
InChIKeyYQMOQQKIRFWPQL-VIFPVBQESA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol (CID 7096764) is (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol is N[C@@H](CCO)c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol?
The InChIKey is YQMOQQKIRFWPQL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol?
(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 7096764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).