(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol

C10H14ClNO — CID 130826820

IUPAC(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@@H](O)[C@@H](C)N)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-4-3-5-8(9(6)11)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1
InChIKeyJXGLNNVHOHAMGV-XCBNKYQSSA-N
MW199.68 g/mol
LogP2.03
Rot. Bonds2

About (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol

(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol (PubChem CID 130826820) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
PubChem CID130826820
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@@H](O)[C@@H](C)N)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-4-3-5-8(9(6)11)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1
InChIKeyJXGLNNVHOHAMGV-XCBNKYQSSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol (CID 130826820) is (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol is Cc1cccc([C@@H](O)[C@@H](C)N)c1Cl.
What is the InChIKey of (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol?
The InChIKey is JXGLNNVHOHAMGV-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-4-3-5-8(9(6)11)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol?
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 130826820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).