(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol

C9H12ClNO — CID 130676173

IUPAC(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
SMILESCC(O)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6?,9-/m0/s1
InChIKeyXBAXSYKCTIVRON-HSOSERFQSA-N
MW185.65 g/mol
LogP1.72
Rot. Bonds2

About (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol

(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol (PubChem CID 130676173) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
PubChem CID130676173
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
SMILESCC(O)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6?,9-/m0/s1
InChIKeyXBAXSYKCTIVRON-HSOSERFQSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol?
The IUPAC name of (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol (CID 130676173) is (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol.
What is the SMILES notation for (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol?
The canonical SMILES for (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol is CC(O)[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol?
The InChIKey is XBAXSYKCTIVRON-HSOSERFQSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3/t6?,9-/m0/s1.
What are the key properties of (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol?
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol has a molecular weight of 185.65 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-(4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 130676173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).