cyclohexa-1,3-diene;N-methyl-N-phenylaniline

C19H21N — CID 163291837

IUPACcyclohexa-1,3-diene;N-methyl-N-phenylaniline
SMILESC1=CCCC=C1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C6H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1/h2-11H,1H3;1-4H,5-6H2
InChIKeyUXQGSGXLDOEYPE-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.35
Rot. Bonds2

About cyclohexa-1,3-diene;N-methyl-N-phenylaniline

cyclohexa-1,3-diene;N-methyl-N-phenylaniline (PubChem CID 163291837) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is cyclohexa-1,3-diene;N-methyl-N-phenylaniline.

Molecular Properties

Compound Namecyclohexa-1,3-diene;N-methyl-N-phenylaniline
PubChem CID163291837
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Namecyclohexa-1,3-diene;N-methyl-N-phenylaniline
SMILESC1=CCCC=C1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N.C6H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1/h2-11H,1H3;1-4H,5-6H2
InChIKeyUXQGSGXLDOEYPE-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
ethene;N-methyl-N-phenylaniline
CID 144541479
bromomethane;(5Z)-cycloocta-1,5-diene;N-methyl-N-phenylaniline;N-phenylaniline
CID 163807814
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
CID 145203844
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
cyclohexa-1,3-diene;1,2-xylene
CID 159360183
N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
CID 161221550
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
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
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;N-methyl-N-phenylaniline?
The IUPAC name of cyclohexa-1,3-diene;N-methyl-N-phenylaniline (CID 163291837) is cyclohexa-1,3-diene;N-methyl-N-phenylaniline.
What is the SMILES notation for cyclohexa-1,3-diene;N-methyl-N-phenylaniline?
The canonical SMILES for cyclohexa-1,3-diene;N-methyl-N-phenylaniline is C1=CCCC=C1.CN(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexa-1,3-diene;N-methyl-N-phenylaniline?
The InChIKey is UXQGSGXLDOEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C6H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1/h2-11H,1H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;N-methyl-N-phenylaniline?
cyclohexa-1,3-diene;N-methyl-N-phenylaniline has a molecular weight of 263.38 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;N-methyl-N-phenylaniline is sourced from PubChem (CID 163291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).