2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline

C18H23N — CID 59456562

IUPAC2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccccc1CC(C)C
InChIInChI=1S/C18H23N/c1-13(2)12-16-10-5-6-11-17(16)19-18-14(3)8-7-9-15(18)4/h5-11,13,19H,12H2,1-4H3
InChIKeySKVFMJDJIIZDIR-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.25
Rot. Bonds4

About 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline

2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline (PubChem CID 59456562) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
PubChem CID59456562
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
SMILESCc1cccc(C)c1Nc1ccccc1CC(C)C
InChIInChI=1S/C18H23N/c1-13(2)12-16-10-5-6-11-17(16)19-18-14(3)8-7-9-15(18)4/h5-11,13,19H,12H2,1-4H3
InChIKeySKVFMJDJIIZDIR-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline 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

methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
cyanomethyl 2-[2-(2,6-dimethylanilino)phenyl]acetate
CID 54226375
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
CID 102518992
bis[2-(2-methylpropyl)phenyl]phosphane
CID 69478192
N-[2-(2-methylpropyl)phenyl]butanamide
CID 130436413
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline (CID 59456562) is 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline is Cc1cccc(C)c1Nc1ccccc1CC(C)C.
What is the InChIKey of 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline?
The InChIKey is SKVFMJDJIIZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)12-16-10-5-6-11-17(16)19-18-14(3)8-7-9-15(18)4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline?
2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 59456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).