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

C27H29N — CID 142540837

IUPACN-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
SMILESC1=CC2CC2C=C1Nc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C13H13N.2C7H8/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-7-5-3-2-4-6-7/h1-7,9-11,14H,8H2;2*2-6H,1H3
InChIKeyYCSBRRSBFRSVCB-UHFFFAOYSA-N
MW367.54 g/mol
LogP7.18
Rot. Bonds2

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

N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene (PubChem CID 142540837) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene.

Molecular Properties

Compound NameN-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
PubChem CID142540837
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC NameN-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
SMILESC1=CC2CC2C=C1Nc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C13H13N.2C7H8/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-7-5-3-2-4-6-7/h1-7,9-11,14H,8H2;2*2-6H,1H3
InChIKeyYCSBRRSBFRSVCB-UHFFFAOYSA-N
XLogP7.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
CID 144622736
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
CID 143624707
anisole;methyl (E)-3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enoate
CID 145193070
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
cis-(1R,2S)-2-fluorocyclopropan-1-amine;toluene
CID 118496568
thiohypofluorous acid;toluene
CID 87601176
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene
CID 143920230
gold;toluene
CID 159315944

Frequently Asked Questions

What is the IUPAC name of N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The IUPAC name of N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene (CID 142540837) is N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene.
What is the SMILES notation for N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The canonical SMILES for N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene is C1=CC2CC2C=C1Nc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
The InChIKey is YCSBRRSBFRSVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.2C7H8/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-7-5-3-2-4-6-7/h1-7,9-11,14H,8H2;2*2-6H,1H3.
What are the key properties of N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene?
N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene has a molecular weight of 367.54 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene is sourced from PubChem (CID 142540837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).