(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol

C10H13Cl2NO — CID 131115673

IUPAC(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)c([C@@H](O)[C@H](C)N)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-5-3-4-7(11)8(9(5)12)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3/t6-,10-/m0/s1
InChIKeyKYSATPKFJHOYSA-WKEGUHRASA-N
MW234.13 g/mol
LogP2.68
Rot. Bonds2

About (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol

(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol (PubChem CID 131115673) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
PubChem CID131115673
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)c([C@@H](O)[C@H](C)N)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-5-3-4-7(11)8(9(5)12)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3/t6-,10-/m0/s1
InChIKeyKYSATPKFJHOYSA-WKEGUHRASA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
(1R,2S)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131407763
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
(1S,2R)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171269558
2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
CID 84795067
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol (CID 131115673) is (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol is Cc1ccc(Cl)c([C@@H](O)[C@H](C)N)c1Cl.
What is the InChIKey of (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol?
The InChIKey is KYSATPKFJHOYSA-WKEGUHRASA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-5-3-4-7(11)8(9(5)12)10(14)6(2)13/h3-4,6,10,14H,13H2,1-2H3/t6-,10-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol?
(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 131115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).