(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol

C10H14ClNO2 — CID 130749346

IUPAC(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Cl)cc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H14ClNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1
InChIKeyKURQWQBODMEFCJ-LHLIQPBNSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds3

About (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol

(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol (PubChem CID 130749346) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
PubChem CID130749346
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Cl)cc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H14ClNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1
InChIKeyKURQWQBODMEFCJ-LHLIQPBNSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol (CID 130749346) is (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol is COc1ccc(Cl)cc1[C@H](N)[C@@H](C)O.
What is the InChIKey of (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol?
The InChIKey is KURQWQBODMEFCJ-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol?
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130749346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).