4-(2-methylanilino)butan-2-ol

C11H17NO — CID 112693026

IUPAC4-(2-methylanilino)butan-2-ol
SMILESCc1ccccc1NCCC(C)O
InChIInChI=1S/C11H17NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyPVXIEEIHLXTNTK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds4

About 4-(2-methylanilino)butan-2-ol

4-(2-methylanilino)butan-2-ol (PubChem CID 112693026) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-methylanilino)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylanilino)butan-2-ol
PubChem CID112693026
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2-methylanilino)butan-2-ol
SMILESCc1ccccc1NCCC(C)O
InChIInChI=1S/C11H17NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyPVXIEEIHLXTNTK-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylanilino)butan-2-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

N-(3-bromobutyl)-2-methylaniline
CID 90819159
2-(3-hydroxybutylamino)benzonitrile
CID 64910857
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
1-N,2-N,4-N-tris(2-methylphenyl)butane-1,2,4-triamine
CID 57204842
(1S)-1-(4-methoxyphenyl)-3-(2-methylanilino)propan-1-ol
CID 94281332
3-(2-methylanilino)propan-1-ol
CID 18005925
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
N-(2-butan-2-ylsulfanylethyl)-2-methylaniline
CID 62577344
(2S)-4-[(2,6-dimethylphenyl)methylamino]butan-2-ol
CID 97358416
2-bromo-6-(3-hydroxybutylamino)benzonitrile
CID 114881117

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)butan-2-ol?
The IUPAC name of 4-(2-methylanilino)butan-2-ol (CID 112693026) is 4-(2-methylanilino)butan-2-ol.
What is the SMILES notation for 4-(2-methylanilino)butan-2-ol?
The canonical SMILES for 4-(2-methylanilino)butan-2-ol is Cc1ccccc1NCCC(C)O.
What is the InChIKey of 4-(2-methylanilino)butan-2-ol?
The InChIKey is PVXIEEIHLXTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 4-(2-methylanilino)butan-2-ol?
4-(2-methylanilino)butan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)butan-2-ol is sourced from PubChem (CID 112693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).