2,4-dihexyl-3-methylaniline

C19H33N — CID 174875923

IUPAC2,4-dihexyl-3-methylaniline
SMILESCCCCCCc1ccc(N)c(CCCCCC)c1C
InChIInChI=1S/C19H33N/c1-4-6-8-10-12-17-14-15-19(20)18(16(17)3)13-11-9-7-5-2/h14-15H,4-13,20H2,1-3H3
InChIKeyORGMCZRCWRLEPG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.82
Rot. Bonds10

About 2,4-dihexyl-3-methylaniline

2,4-dihexyl-3-methylaniline (PubChem CID 174875923) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2,4-dihexyl-3-methylaniline.

Molecular Properties

Compound Name2,4-dihexyl-3-methylaniline
PubChem CID174875923
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2,4-dihexyl-3-methylaniline
SMILESCCCCCCc1ccc(N)c(CCCCCC)c1C
InChIInChI=1S/C19H33N/c1-4-6-8-10-12-17-14-15-19(20)18(16(17)3)13-11-9-7-5-2/h14-15H,4-13,20H2,1-3H3
InChIKeyORGMCZRCWRLEPG-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,4-dihexyl-3-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

2,3-dihexylbenzene-1,4-diamine
CID 18324632
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
4-bromo-3-methyl-2-pentylaniline
CID 70568327
2-decylbenzene-1,3-diamine
CID 141061522
2,4-dimethyl-3-pentylaniline
CID 68571869
3,4-dibutylbenzene-1,2-diamine
CID 18764845
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444
1,2-dimethyl-3-octadecylbenzene;methanamine;hydrobromide
CID 174529891
azane;1-(chloromethyl)-2,3-dimethyl-4-octylbenzene
CID 67829862
2-tetradecylaniline
CID 22218918
3,4,9,10-tetradodecylpicene
CID 58426518

Frequently Asked Questions

What is the IUPAC name of 2,4-dihexyl-3-methylaniline?
The IUPAC name of 2,4-dihexyl-3-methylaniline (CID 174875923) is 2,4-dihexyl-3-methylaniline.
What is the SMILES notation for 2,4-dihexyl-3-methylaniline?
The canonical SMILES for 2,4-dihexyl-3-methylaniline is CCCCCCc1ccc(N)c(CCCCCC)c1C.
What is the InChIKey of 2,4-dihexyl-3-methylaniline?
The InChIKey is ORGMCZRCWRLEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-4-6-8-10-12-17-14-15-19(20)18(16(17)3)13-11-9-7-5-2/h14-15H,4-13,20H2,1-3H3.
What are the key properties of 2,4-dihexyl-3-methylaniline?
2,4-dihexyl-3-methylaniline has a molecular weight of 275.48 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihexyl-3-methylaniline is sourced from PubChem (CID 174875923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).