ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene

C26H33N — CID 142288143

IUPACethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene
SMILESC=C.C=CC.CC.CN(c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N.C3H6.C2H6.C2H4/c1-20(18-12-6-3-7-13-18)19-14-8-11-17(15-19)16-9-4-2-5-10-16;1-3-2;2*1-2/h2-15H,1H3;3H,1H2,2H3;1-2H3;1-2H2
InChIKeyOPMLWTHTMWILPV-UHFFFAOYSA-N
MW359.56 g/mol
LogP8.14
Rot. Bonds3

About ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene

ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene (PubChem CID 142288143) has the molecular formula C26H33N and a molecular weight of 359.56 g/mol. Its IUPAC name is ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene.

Molecular Properties

Compound Nameethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene
PubChem CID142288143
Molecular FormulaC26H33N
Molecular Weight359.56 g/mol
Exact Mass359.26
IUPAC Nameethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene
SMILESC=C.C=CC.CC.CN(c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N.C3H6.C2H6.C2H4/c1-20(18-12-6-3-7-13-18)19-14-8-11-17(15-19)16-9-4-2-5-10-16;1-3-2;2*1-2/h2-15H,1H3;3H,1H2,2H3;1-2H3;1-2H2
InChIKeyOPMLWTHTMWILPV-UHFFFAOYSA-N
XLogP8.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.56
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
ethene;N-methyl-N-phenylaniline
CID 144541479
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol
CID 143685205
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene?
The IUPAC name of ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene (CID 142288143) is ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene.
What is the SMILES notation for ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene?
The canonical SMILES for ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene is C=C.C=CC.CC.CN(c1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene?
The InChIKey is OPMLWTHTMWILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.C3H6.C2H6.C2H4/c1-20(18-12-6-3-7-13-18)19-14-8-11-17(15-19)16-9-4-2-5-10-16;1-3-2;2*1-2/h2-15H,1H3;3H,1H2,2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene?
ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene has a molecular weight of 359.56 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene is sourced from PubChem (CID 142288143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).