(2R)-1-(3-chloro-2-methylanilino)propan-2-ol

C10H14ClNO — CID 39240251

IUPAC(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
SMILESCc1c(Cl)cccc1NC[C@@H](C)O
InChIInChI=1S/C10H14ClNO/c1-7(13)6-12-10-5-3-4-9(11)8(10)2/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1
InChIKeyVIQAXUCJDOLIPC-SSDOTTSWSA-N
MW199.68 g/mol
LogP2.44
Rot. Bonds3

About (2R)-1-(3-chloro-2-methylanilino)propan-2-ol

(2R)-1-(3-chloro-2-methylanilino)propan-2-ol (PubChem CID 39240251) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2R)-1-(3-chloro-2-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
PubChem CID39240251
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
SMILESCc1c(Cl)cccc1NC[C@@H](C)O
InChIInChI=1S/C10H14ClNO/c1-7(13)6-12-10-5-3-4-9(11)8(10)2/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1
InChIKeyVIQAXUCJDOLIPC-SSDOTTSWSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,2-diphenylethyl)-2-methylaniline
CID 23994385
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813
1-(3-chloro-2-nitroanilino)propan-2-ol
CID 104835712
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
N-(3-chloro-2-methylphenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54807478
(2S)-4-(3-chloro-2-methylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591713
3-chloro-2-methyl-N-prop-2-ynylaniline;hydrochloride
CID 45156434
2,3-bis(2-hydroxypropylamino)phenol
CID 155229182
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-2-methylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3-chloro-2-methylanilino)propan-2-ol (CID 39240251) is (2R)-1-(3-chloro-2-methylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-chloro-2-methylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-chloro-2-methylanilino)propan-2-ol is Cc1c(Cl)cccc1NC[C@@H](C)O.
What is the InChIKey of (2R)-1-(3-chloro-2-methylanilino)propan-2-ol?
The InChIKey is VIQAXUCJDOLIPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(13)6-12-10-5-3-4-9(11)8(10)2/h3-5,7,12-13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-2-methylanilino)propan-2-ol?
(2R)-1-(3-chloro-2-methylanilino)propan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-2-methylanilino)propan-2-ol is sourced from PubChem (CID 39240251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).