4-(2,5-dimethylanilino)pentan-1-ol

C13H21NO — CID 115976106

IUPAC4-(2,5-dimethylanilino)pentan-1-ol
SMILESCc1ccc(C)c(NC(C)CCCO)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-11(2)13(9-10)14-12(3)5-4-8-15/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyZCNCKCGQDVNBCL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds5

About 4-(2,5-dimethylanilino)pentan-1-ol

4-(2,5-dimethylanilino)pentan-1-ol (PubChem CID 115976106) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2,5-dimethylanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,5-dimethylanilino)pentan-1-ol
PubChem CID115976106
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(2,5-dimethylanilino)pentan-1-ol
SMILESCc1ccc(C)c(NC(C)CCCO)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-11(2)13(9-10)14-12(3)5-4-8-15/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyZCNCKCGQDVNBCL-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-dimethylanilino)pentan-1-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

4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline
CID 115928156
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
4-(3-bromo-2-methylanilino)pentan-1-ol
CID 115976130
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylanilino)pentan-1-ol?
The IUPAC name of 4-(2,5-dimethylanilino)pentan-1-ol (CID 115976106) is 4-(2,5-dimethylanilino)pentan-1-ol.
What is the SMILES notation for 4-(2,5-dimethylanilino)pentan-1-ol?
The canonical SMILES for 4-(2,5-dimethylanilino)pentan-1-ol is Cc1ccc(C)c(NC(C)CCCO)c1.
What is the InChIKey of 4-(2,5-dimethylanilino)pentan-1-ol?
The InChIKey is ZCNCKCGQDVNBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-7-11(2)13(9-10)14-12(3)5-4-8-15/h6-7,9,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of 4-(2,5-dimethylanilino)pentan-1-ol?
4-(2,5-dimethylanilino)pentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylanilino)pentan-1-ol is sourced from PubChem (CID 115976106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).