ethene;N-methyl-N-phenylaniline

C15H17N — CID 144541479

IUPACethene;N-methyl-N-phenylaniline
SMILESC=C.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C2H4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2/h2-11H,1H3;1-2H2
InChIKeyZYYOVEFIRVTEEF-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.26
Rot. Bonds2

About ethene;N-methyl-N-phenylaniline

ethene;N-methyl-N-phenylaniline (PubChem CID 144541479) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is ethene;N-methyl-N-phenylaniline.

Molecular Properties

Compound Nameethene;N-methyl-N-phenylaniline
PubChem CID144541479
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Nameethene;N-methyl-N-phenylaniline
SMILESC=C.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C2H4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2/h2-11H,1H3;1-2H2
InChIKeyZYYOVEFIRVTEEF-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.26
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

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
CID 161221550
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
cyclohexa-1,3-diene;N-methyl-N-phenylaniline
CID 163291837
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689

Frequently Asked Questions

What is the IUPAC name of ethene;N-methyl-N-phenylaniline?
The IUPAC name of ethene;N-methyl-N-phenylaniline (CID 144541479) is ethene;N-methyl-N-phenylaniline.
What is the SMILES notation for ethene;N-methyl-N-phenylaniline?
The canonical SMILES for ethene;N-methyl-N-phenylaniline is C=C.CN(c1ccccc1)c1ccccc1.
What is the InChIKey of ethene;N-methyl-N-phenylaniline?
The InChIKey is ZYYOVEFIRVTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C2H4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2/h2-11H,1H3;1-2H2.
What are the key properties of ethene;N-methyl-N-phenylaniline?
ethene;N-methyl-N-phenylaniline has a molecular weight of 211.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-methyl-N-phenylaniline is sourced from PubChem (CID 144541479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).