4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline

C18H23N — CID 164667835

IUPAC4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
SMILESCCC(Cc1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h5-12,17,19H,4,13H2,1-3H3
InChIKeyAFDVUAFZTQUTMM-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.74
Rot. Bonds5

About 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline

4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline (PubChem CID 164667835) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
PubChem CID164667835
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
SMILESCCC(Cc1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h5-12,17,19H,4,13H2,1-3H3
InChIKeyAFDVUAFZTQUTMM-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
1-(4-methylphenyl)-N-(2-methylsulfanylethyl)butan-2-amine
CID 115706168
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
diethyl-bis(4-methylanilino)phosphanium
CID 132582432
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
CID 177337269

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline (CID 164667835) is 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline is CCC(Cc1ccc(C)cc1)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline?
The InChIKey is AFDVUAFZTQUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h5-12,17,19H,4,13H2,1-3H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline?
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline has a molecular weight of 253.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline is sourced from PubChem (CID 164667835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).