3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline

C19H25NO — CID 43738935

IUPAC3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1ccc(C)c(OC)c1C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-5-9-18(16-10-7-6-8-11-16)20-17-13-12-14(2)19(21-4)15(17)3/h6-8,10-13,18,20H,5,9H2,1-4H3
InChIKeyMSJPVGKJLUJURG-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.27
Rot. Bonds6

About 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline

3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline (PubChem CID 43738935) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
PubChem CID43738935
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1ccc(C)c(OC)c1C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-5-9-18(16-10-7-6-8-11-16)20-17-13-12-14(2)19(21-4)15(17)3/h6-8,10-13,18,20H,5,9H2,1-4H3
InChIKeyMSJPVGKJLUJURG-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
2-methoxy-N-(1-phenylbutyl)pyridin-3-amine
CID 43721710
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine
CID 130318448
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline?
The IUPAC name of 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline (CID 43738935) is 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline?
The canonical SMILES for 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline is CCCC(Nc1ccc(C)c(OC)c1C)c1ccccc1.
What is the InChIKey of 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline?
The InChIKey is MSJPVGKJLUJURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-9-18(16-10-7-6-8-11-16)20-17-13-12-14(2)19(21-4)15(17)3/h6-8,10-13,18,20H,5,9H2,1-4H3.
What are the key properties of 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline?
3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline is sourced from PubChem (CID 43738935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).