2,5-dimethyl-N-(4-phenylbutyl)aniline

C18H23N — CID 114333158

IUPAC2,5-dimethyl-N-(4-phenylbutyl)aniline
SMILESCc1ccc(C)c(NCCCCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-11-12-16(2)18(14-15)19-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3
InChIKeyMIGRGOGETHJTKA-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.74
Rot. Bonds6

About 2,5-dimethyl-N-(4-phenylbutyl)aniline

2,5-dimethyl-N-(4-phenylbutyl)aniline (PubChem CID 114333158) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-phenylbutyl)aniline
PubChem CID114333158
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,5-dimethyl-N-(4-phenylbutyl)aniline
SMILESCc1ccc(C)c(NCCCCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-11-12-16(2)18(14-15)19-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3
InChIKeyMIGRGOGETHJTKA-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
4-methyl-3-(4-phenylbutylamino)benzonitrile
CID 114333314
5-bromo-2-methyl-N-(3-phenylpropyl)aniline
CID 43729393
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-phenylbutyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(4-phenylbutyl)aniline (CID 114333158) is 2,5-dimethyl-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(4-phenylbutyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(4-phenylbutyl)aniline is Cc1ccc(C)c(NCCCCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-phenylbutyl)aniline?
The InChIKey is MIGRGOGETHJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15-11-12-16(2)18(14-15)19-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(4-phenylbutyl)aniline?
2,5-dimethyl-N-(4-phenylbutyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).