4-butan-2-yl-N-methylaniline

C11H17N — CID 22675641

IUPAC4-butan-2-yl-N-methylaniline
SMILESCCC(C)c1ccc(NC)cc1
InChIInChI=1S/C11H17N/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9,12H,4H2,1-3H3
InChIKeyHWHGDDHBMJCYSF-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.24
Rot. Bonds3

About 4-butan-2-yl-N-methylaniline

4-butan-2-yl-N-methylaniline (PubChem CID 22675641) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-butan-2-yl-N-methylaniline.

Molecular Properties

Compound Name4-butan-2-yl-N-methylaniline
PubChem CID22675641
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-butan-2-yl-N-methylaniline
SMILESCCC(C)c1ccc(NC)cc1
InChIInChI=1S/C11H17N/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9,12H,4H2,1-3H3
InChIKeyHWHGDDHBMJCYSF-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butan-2-yl-N-methylaniline 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-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
4-butan-2-yl-N-cyclopentylaniline
CID 43681058

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-methylaniline?
The IUPAC name of 4-butan-2-yl-N-methylaniline (CID 22675641) is 4-butan-2-yl-N-methylaniline.
What is the SMILES notation for 4-butan-2-yl-N-methylaniline?
The canonical SMILES for 4-butan-2-yl-N-methylaniline is CCC(C)c1ccc(NC)cc1.
What is the InChIKey of 4-butan-2-yl-N-methylaniline?
The InChIKey is HWHGDDHBMJCYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9,12H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-methylaniline?
4-butan-2-yl-N-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-methylaniline is sourced from PubChem (CID 22675641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).