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

C10H14ClNO — CID 131146815

IUPAC(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)cc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C10H14ClNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m1/s1
InChIKeyAEBOMNYMPTVNLI-GMSGAONNSA-N
MW199.68 g/mol
LogP2.03
Rot. Bonds2

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

(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol (PubChem CID 131146815) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
PubChem CID131146815
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)cc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C10H14ClNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m1/s1
InChIKeyAEBOMNYMPTVNLI-GMSGAONNSA-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

Analyze (1S,2R)-2-amino-1-(5-chloro-2-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

(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 130898767
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol (CID 131146815) is (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol is Cc1ccc(Cl)cc1[C@H](O)[C@@H](C)N.
What is the InChIKey of (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
The InChIKey is AEBOMNYMPTVNLI-GMSGAONNSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-3-4-8(11)5-9(6)10(13)7(2)12/h3-5,7,10,13H,12H2,1-2H3/t7-,10-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol?
(1S,2R)-2-amino-1-(5-chloro-2-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 (1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 131146815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).