2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline

C18H23N — CID 43755773

IUPAC2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCc1ccc(NC(c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C18H23N/c1-13(2)18(16-8-6-5-7-9-16)19-17-11-10-14(3)12-15(17)4/h5-13,18-19H,1-4H3
InChIKeyCYTYNQFGRXIHSG-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.11
Rot. Bonds4

About 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline

2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline (PubChem CID 43755773) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
PubChem CID43755773
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
SMILESCc1ccc(NC(c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C18H23N/c1-13(2)18(16-8-6-5-7-9-16)19-17-11-10-14(3)12-15(17)4/h5-13,18-19H,1-4H3
InChIKeyCYTYNQFGRXIHSG-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
3-methyl-4-[(2-methyl-1-phenylpropyl)amino]benzoic acid
CID 43789140
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
CID 134874635
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
methyl (2R,3S)-3-(2,5-dimethylanilino)-2-methyl-3-phenylpropanoate
CID 134940817
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline?
The IUPAC name of 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline (CID 43755773) is 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline is Cc1ccc(NC(c2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline?
The InChIKey is CYTYNQFGRXIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)18(16-8-6-5-7-9-16)19-17-11-10-14(3)12-15(17)4/h5-13,18-19H,1-4H3.
What are the key properties of 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline?
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline is sourced from PubChem (CID 43755773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).