ethane;bis(N-methyl-N-phenylaniline)

C30H38N2 — CID 160716887

IUPACethane;bis(N-methyl-N-phenylaniline)
SMILESCC.CC.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H13N.2C2H6/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2/h2*2-11H,1H3;2*1-2H3
InChIKeyRSOWXUGVBOBKKI-UHFFFAOYSA-N
MW426.65 g/mol
LogP8.96
Rot. Bonds4

About ethane;bis(N-methyl-N-phenylaniline)

ethane;bis(N-methyl-N-phenylaniline) (PubChem CID 160716887) has the molecular formula C30H38N2 and a molecular weight of 426.65 g/mol. Its IUPAC name is ethane;bis(N-methyl-N-phenylaniline).

Molecular Properties

Compound Nameethane;bis(N-methyl-N-phenylaniline)
PubChem CID160716887
Molecular FormulaC30H38N2
Molecular Weight426.65 g/mol
Exact Mass426.30
IUPAC Nameethane;bis(N-methyl-N-phenylaniline)
SMILESCC.CC.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H13N.2C2H6/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2/h2*2-11H,1H3;2*1-2H3
InChIKeyRSOWXUGVBOBKKI-UHFFFAOYSA-N
XLogP8.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;N-methyl-N-phenylaniline
CID 144541479
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
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
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
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
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 ethane;bis(N-methyl-N-phenylaniline)?
The IUPAC name of ethane;bis(N-methyl-N-phenylaniline) (CID 160716887) is ethane;bis(N-methyl-N-phenylaniline).
What is the SMILES notation for ethane;bis(N-methyl-N-phenylaniline)?
The canonical SMILES for ethane;bis(N-methyl-N-phenylaniline) is CC.CC.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;bis(N-methyl-N-phenylaniline)?
The InChIKey is RSOWXUGVBOBKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13N.2C2H6/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2/h2*2-11H,1H3;2*1-2H3.
What are the key properties of ethane;bis(N-methyl-N-phenylaniline)?
ethane;bis(N-methyl-N-phenylaniline) has a molecular weight of 426.65 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(N-methyl-N-phenylaniline) is sourced from PubChem (CID 160716887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).