(2R)-1-(3-chloroanilino)propan-2-ol

C9H12ClNO — CID 39237835

IUPAC(2R)-1-(3-chloroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,7,11-12H,6H2,1H3/t7-/m1/s1
InChIKeyIKEBQDAAZBVUBX-SSDOTTSWSA-N
MW185.65 g/mol
LogP2.13
Rot. Bonds3

About (2R)-1-(3-chloroanilino)propan-2-ol

(2R)-1-(3-chloroanilino)propan-2-ol (PubChem CID 39237835) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2R)-1-(3-chloroanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-chloroanilino)propan-2-ol
PubChem CID39237835
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2R)-1-(3-chloroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,7,11-12H,6H2,1H3/t7-/m1/s1
InChIKeyIKEBQDAAZBVUBX-SSDOTTSWSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
1-(3-chloroanilino)propan-2-one
CID 21364413
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
3-chloro-N-(2-methylidenebutyl)aniline
CID 66044968
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloroanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3-chloroanilino)propan-2-ol (CID 39237835) is (2R)-1-(3-chloroanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-chloroanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-chloroanilino)propan-2-ol is C[C@@H](O)CNc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-(3-chloroanilino)propan-2-ol?
The InChIKey is IKEBQDAAZBVUBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,7,11-12H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-chloroanilino)propan-2-ol?
(2R)-1-(3-chloroanilino)propan-2-ol has a molecular weight of 185.65 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloroanilino)propan-2-ol is sourced from PubChem (CID 39237835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).