N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene

C28H31N — CID 144622736

IUPACN-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
SMILESCN(C1=CC2CC2C=C1)c1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H15N.2C7H8/c1-15(13-5-3-2-4-6-13)14-8-7-11-9-12(11)10-14;2*1-7-5-3-2-4-6-7/h2-8,10-12H,9H2,1H3;2*2-6H,1H3
InChIKeyGUGUBYLIOKFSNR-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.20
Rot. Bonds2

About N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene

N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene (PubChem CID 144622736) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene.

Molecular Properties

Compound NameN-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
PubChem CID144622736
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC NameN-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
SMILESCN(C1=CC2CC2C=C1)c1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H15N.2C7H8/c1-15(13-5-3-2-4-6-13)14-8-7-11-9-12(11)10-14;2*1-7-5-3-2-4-6-7/h2-8,10-12H,9H2,1H3;2*2-6H,1H3
InChIKeyGUGUBYLIOKFSNR-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-N-[3-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline
CID 70848618
N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
CID 142540837
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-[4-[4-[4-[cyclohepta-1,3,6-trien-1-yl(cyclohepta-1,4,6-trien-1-yl)amino]phenyl]phenyl]phenyl]-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 143144037
ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
CID 143624707
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-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 143498699
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The IUPAC name of N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene (CID 144622736) is N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene.
What is the SMILES notation for N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The canonical SMILES for N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene is CN(C1=CC2CC2C=C1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The InChIKey is GUGUBYLIOKFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.2C7H8/c1-15(13-5-3-2-4-6-13)14-8-7-11-9-12(11)10-14;2*1-7-5-3-2-4-6-7/h2-8,10-12H,9H2,1H3;2*2-6H,1H3.
What are the key properties of N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene has a molecular weight of 381.56 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene is sourced from PubChem (CID 144622736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).