N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline

C20H19N — CID 143032212

IUPACN-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
SMILESC=C(Nc1cccc(C)c1)c1ccc(C2=CC=CC2)cc1
InChIInChI=1S/C20H19N/c1-15-6-5-9-20(14-15)21-16(2)17-10-12-19(13-11-17)18-7-3-4-8-18/h3-7,9-14,21H,2,8H2,1H3
InChIKeyZEEYBYCNHIMJTE-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.42
Rot. Bonds4

About N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline

N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline (PubChem CID 143032212) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
PubChem CID143032212
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
SMILESC=C(Nc1cccc(C)c1)c1ccc(C2=CC=CC2)cc1
InChIInChI=1S/C20H19N/c1-15-6-5-9-20(14-15)21-16(2)17-10-12-19(13-11-17)18-7-3-4-8-18/h3-7,9-14,21H,2,8H2,1H3
InChIKeyZEEYBYCNHIMJTE-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
N-(3-methylphenyl)acetamide
CID 10843
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline
CID 174166187
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
CID 3652809
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
(E)-3-(3-methylanilino)-1-(4-methylphenyl)but-2-en-1-one
CID 39346765
1-cyano-N-(3-methylphenyl)methanethioamide
CID 4569195

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline?
The IUPAC name of N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline (CID 143032212) is N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline.
What is the SMILES notation for N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline?
The canonical SMILES for N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline is C=C(Nc1cccc(C)c1)c1ccc(C2=CC=CC2)cc1.
What is the InChIKey of N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline?
The InChIKey is ZEEYBYCNHIMJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-15-6-5-9-20(14-15)21-16(2)17-10-12-19(13-11-17)18-7-3-4-8-18/h3-7,9-14,21H,2,8H2,1H3.
What are the key properties of N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline?
N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline is sourced from PubChem (CID 143032212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).