N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane

C21H25N — CID 144615927

IUPACN-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
SMILESCC.Cc1ccc(N(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C19H19N.C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2/h2,4-6,8-15H,3,7H2,1H3;1-2H3
InChIKeyHDGBCYMKAUDENF-UHFFFAOYSA-N
MW291.44 g/mol
LogP6.39
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane

N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane (PubChem CID 144615927) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
PubChem CID144615927
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
SMILESCC.Cc1ccc(N(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C19H19N.C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2/h2,4-6,8-15H,3,7H2,1H3;1-2H3
InChIKeyHDGBCYMKAUDENF-UHFFFAOYSA-N
XLogP6.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
2-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-4,6-bis[4-(N-phenylanilino)phenyl]benzene-1,3,5-tricarbonitrile
CID 167289625
4-tert-butyl-N-(4-tert-butylphenyl)-N-cyclohexa-1,5-dien-1-ylaniline;ethane
CID 142315205
N-cyclohexa-1,5-dien-1-yl-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethane
CID 145177184
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
CID 143665043

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane (CID 144615927) is N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane is CC.Cc1ccc(N(C2=CCCC=C2)c2ccccc2)cc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane?
The InChIKey is HDGBCYMKAUDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N.C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2/h2,4-6,8-15H,3,7H2,1H3;1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane?
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane has a molecular weight of 291.44 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane is sourced from PubChem (CID 144615927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).