(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol

C9H11BrClNO — CID 130721867

IUPAC(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3/t9-/m1/s1
InChIKeyWFOAODPYRGQFTM-SECBINFHSA-N
MW264.55 g/mol
LogP2.27
Rot. Bonds2

About (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol

(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol (PubChem CID 130721867) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
PubChem CID130721867
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3/t9-/m1/s1
InChIKeyWFOAODPYRGQFTM-SECBINFHSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol (CID 130721867) is (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol is C[C@@](N)(CO)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol?
The InChIKey is WFOAODPYRGQFTM-SECBINFHSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol?
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol has a molecular weight of 264.55 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 130721867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).