2,5-dimethyl-N-(1-phenylbutyl)aniline

C18H23N — CID 43110358

IUPAC2,5-dimethyl-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C18H23N/c1-4-8-17(16-9-6-5-7-10-16)19-18-13-14(2)11-12-15(18)3/h5-7,9-13,17,19H,4,8H2,1-3H3
InChIKeyZVORLOAIJGZDSA-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.26
Rot. Bonds5

About 2,5-dimethyl-N-(1-phenylbutyl)aniline

2,5-dimethyl-N-(1-phenylbutyl)aniline (PubChem CID 43110358) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-phenylbutyl)aniline
PubChem CID43110358
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,5-dimethyl-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C18H23N/c1-4-8-17(16-9-6-5-7-10-16)19-18-13-14(2)11-12-15(18)3/h5-7,9-13,17,19H,4,8H2,1-3H3
InChIKeyZVORLOAIJGZDSA-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
CID 43738935
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-phenylbutyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(1-phenylbutyl)aniline (CID 43110358) is 2,5-dimethyl-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(1-phenylbutyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(1-phenylbutyl)aniline is CCCC(Nc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-(1-phenylbutyl)aniline?
The InChIKey is ZVORLOAIJGZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-8-17(16-9-6-5-7-10-16)19-18-13-14(2)11-12-15(18)3/h5-7,9-13,17,19H,4,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(1-phenylbutyl)aniline?
2,5-dimethyl-N-(1-phenylbutyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-phenylbutyl)aniline is sourced from PubChem (CID 43110358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).