2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol

C13H21NO — CID 82040151

IUPAC2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-5-13(15,9-14-4)12-8-10(2)6-7-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyDIGOPBGGWMDPPV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol

2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol (PubChem CID 82040151) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
PubChem CID82040151
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-5-13(15,9-14-4)12-8-10(2)6-7-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyDIGOPBGGWMDPPV-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)-1-(methylamino)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

(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
1-amino-2-(2,4-dimethylphenyl)butan-2-ol
CID 79002052
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
CID 62773602
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 62352480
2-(4-bromophenyl)-1-(methylamino)butan-2-ol
CID 62773006
5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
CID 91457472
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol (CID 82040151) is 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol is CCC(O)(CNC)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol?
The InChIKey is DIGOPBGGWMDPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(15,9-14-4)12-8-10(2)6-7-11(12)3/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol?
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol is sourced from PubChem (CID 82040151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).