3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline

C24H33N — CID 167073155

IUPAC3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
SMILESC=C(CCc1ccc(C)c(CCC)c1)Nc1ccc(CCC)c(C)c1
InChIInChI=1S/C24H33N/c1-6-8-22-14-15-24(16-19(22)4)25-20(5)11-13-21-12-10-18(3)23(17-21)9-7-2/h10,12,14-17,25H,5-9,11,13H2,1-4H3
InChIKeyYDIPLNKCVHMENT-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.77
Rot. Bonds9

About 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline

3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline (PubChem CID 167073155) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
PubChem CID167073155
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
SMILESC=C(CCc1ccc(C)c(CCC)c1)Nc1ccc(CCC)c(C)c1
InChIInChI=1S/C24H33N/c1-6-8-22-14-15-24(16-19(22)4)25-20(5)11-13-21-12-10-18(3)23(17-21)9-7-2/h10,12,14-17,25H,5-9,11,13H2,1-4H3
InChIKeyYDIPLNKCVHMENT-UHFFFAOYSA-N
XLogP6.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
CID 142913315
N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
ethane;N-[(4-methyl-3-propylphenyl)methyl]-3-methylsulfanylprop-1-en-2-amine
CID 143245980
N-but-1-en-2-yl-4-propylaniline
CID 142064783
3-methyl-N-phenyl-4-propylaniline
CID 24977147
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
N-(4-ethyl-3-methylphenyl)-3-propylbenzamide
CID 142077280
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline?
The IUPAC name of 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline (CID 167073155) is 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline.
What is the SMILES notation for 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline?
The canonical SMILES for 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline is C=C(CCc1ccc(C)c(CCC)c1)Nc1ccc(CCC)c(C)c1.
What is the InChIKey of 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline?
The InChIKey is YDIPLNKCVHMENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-6-8-22-14-15-24(16-19(22)4)25-20(5)11-13-21-12-10-18(3)23(17-21)9-7-2/h10,12,14-17,25H,5-9,11,13H2,1-4H3.
What are the key properties of 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline?
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline has a molecular weight of 335.54 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline is sourced from PubChem (CID 167073155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).