2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline

C18H23N — CID 129025660

IUPAC2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
SMILESCc1cc(C)c(Nc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C18H23N/c1-12(2)16-8-6-7-9-17(16)19-18-14(4)10-13(3)11-15(18)5/h6-12,19H,1-5H3
InChIKeyXVMMFUVIVOLKMX-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.48
Rot. Bonds3

About 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline

2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline (PubChem CID 129025660) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
PubChem CID129025660
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
SMILESCc1cc(C)c(Nc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C18H23N/c1-12(2)16-8-6-7-9-17(16)19-18-14(4)10-13(3)11-15(18)5/h6-12,19H,1-5H3
InChIKeyXVMMFUVIVOLKMX-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 143959547
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782493
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
CID 55086406
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
2-methyl-4-(2-propan-2-ylanilino)benzenecarbothioamide
CID 81279604
2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43759441
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967800

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline?
The IUPAC name of 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline (CID 129025660) is 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline is Cc1cc(C)c(Nc2ccccc2C(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline?
The InChIKey is XVMMFUVIVOLKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12(2)16-8-6-7-9-17(16)19-18-14(4)10-13(3)11-15(18)5/h6-12,19H,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline?
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 129025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).