6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol

C10H14ClNO2 — CID 130656193

IUPAC6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
SMILESCc1c(Cl)ccc([C@@H](N)[C@@H](C)O)c1O
InChIInChI=1S/C10H14ClNO2/c1-5-8(11)4-3-7(10(5)14)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9+/m1/s1
InChIKeyOBXOXYHLKLDPBL-MUWHJKNJSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds2

About 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol

6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol (PubChem CID 130656193) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol.

Molecular Properties

Compound Name6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
PubChem CID130656193
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
SMILESCc1c(Cl)ccc([C@@H](N)[C@@H](C)O)c1O
InChIInChI=1S/C10H14ClNO2/c1-5-8(11)4-3-7(10(5)14)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9+/m1/s1
InChIKeyOBXOXYHLKLDPBL-MUWHJKNJSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
CID 130135122
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol?
The IUPAC name of 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol (CID 130656193) is 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol.
What is the SMILES notation for 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol?
The canonical SMILES for 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol is Cc1c(Cl)ccc([C@@H](N)[C@@H](C)O)c1O.
What is the InChIKey of 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol?
The InChIKey is OBXOXYHLKLDPBL-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-8(11)4-3-7(10(5)14)9(12)6(2)13/h3-4,6,9,13-14H,12H2,1-2H3/t6-,9+/m1/s1.
What are the key properties of 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol?
6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol has a molecular weight of 215.68 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol is sourced from PubChem (CID 130656193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).