(2S)-1-(2-chloro-5-methylanilino)propan-2-ol

C10H14ClNO — CID 107634835

IUPAC(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
SMILESCc1ccc(Cl)c(NC[C@H](C)O)c1
InChIInChI=1S/C10H14ClNO/c1-7-3-4-9(11)10(5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1
InChIKeyCVLNSDIJKTXSNR-QMMMGPOBSA-N
MW199.68 g/mol
LogP2.44
Rot. Bonds3

About (2S)-1-(2-chloro-5-methylanilino)propan-2-ol

(2S)-1-(2-chloro-5-methylanilino)propan-2-ol (PubChem CID 107634835) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2S)-1-(2-chloro-5-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
PubChem CID107634835
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
SMILESCc1ccc(Cl)c(NC[C@H](C)O)c1
InChIInChI=1S/C10H14ClNO/c1-7-3-4-9(11)10(5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1
InChIKeyCVLNSDIJKTXSNR-QMMMGPOBSA-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

1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
4-chloro-3-(2-hydroxypropylamino)benzoic acid
CID 82539769
1-(2-iodo-4-methylanilino)propan-2-ol
CID 101467766
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
CID 39240251
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-5-methylanilino)propan-2-ol?
The IUPAC name of (2S)-1-(2-chloro-5-methylanilino)propan-2-ol (CID 107634835) is (2S)-1-(2-chloro-5-methylanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-chloro-5-methylanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(2-chloro-5-methylanilino)propan-2-ol is Cc1ccc(Cl)c(NC[C@H](C)O)c1.
What is the InChIKey of (2S)-1-(2-chloro-5-methylanilino)propan-2-ol?
The InChIKey is CVLNSDIJKTXSNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-3-4-9(11)10(5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-5-methylanilino)propan-2-ol?
(2S)-1-(2-chloro-5-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 (2S)-1-(2-chloro-5-methylanilino)propan-2-ol is sourced from PubChem (CID 107634835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).