1-(2-chloro-5-methylanilino)butan-2-ol

C11H16ClNO — CID 107634619

IUPAC1-(2-chloro-5-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(C)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyNIFUUDJAHLHUGH-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-chloro-5-methylanilino)butan-2-ol

1-(2-chloro-5-methylanilino)butan-2-ol (PubChem CID 107634619) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methylanilino)butan-2-ol
PubChem CID107634619
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(2-chloro-5-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(C)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyNIFUUDJAHLHUGH-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2,5-dichloro-4-methylanilino)butan-2-ol
CID 104726754
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
1-(2-chloro-5-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 107634648
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylanilino)butan-2-ol?
The IUPAC name of 1-(2-chloro-5-methylanilino)butan-2-ol (CID 107634619) is 1-(2-chloro-5-methylanilino)butan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-methylanilino)butan-2-ol?
The canonical SMILES for 1-(2-chloro-5-methylanilino)butan-2-ol is CCC(O)CNc1cc(C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methylanilino)butan-2-ol?
The InChIKey is NIFUUDJAHLHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylanilino)butan-2-ol?
1-(2-chloro-5-methylanilino)butan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylanilino)butan-2-ol is sourced from PubChem (CID 107634619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).