N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline

C16H27N — CID 114200632

IUPACN-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCC(C)CC(C)C
InChIInChI=1S/C16H27N/c1-6-15-9-7-8-14(5)16(15)17-11-13(4)10-12(2)3/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyGWJBLGPUIYFXFZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.65
Rot. Bonds6

About N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline

N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline (PubChem CID 114200632) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
PubChem CID114200632
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCC(C)CC(C)C
InChIInChI=1S/C16H27N/c1-6-15-9-7-8-14(5)16(15)17-11-13(4)10-12(2)3/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyGWJBLGPUIYFXFZ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylpentyl)-2-ethyl-6-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-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140
2-methyl-N-(2-methylbutyl)-6-nitroaniline
CID 115551443
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline?
The IUPAC name of N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline (CID 114200632) is N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline.
What is the SMILES notation for N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline?
The canonical SMILES for N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCC(C)CC(C)C.
What is the InChIKey of N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline?
The InChIKey is GWJBLGPUIYFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-15-9-7-8-14(5)16(15)17-11-13(4)10-12(2)3/h7-9,12-13,17H,6,10-11H2,1-5H3.
What are the key properties of N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline?
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline has a molecular weight of 233.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline is sourced from PubChem (CID 114200632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).