7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine

C18H19N — CID 116517537

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine
SMILESNC(C1Cc2ccccc21)C1CC1c1ccccc1
InChIInChI=1S/C18H19N/c19-18(16-10-13-8-4-5-9-14(13)16)17-11-15(17)12-6-2-1-3-7-12/h1-9,15-18H,10-11,19H2
InChIKeyCBBVMIHDTMVUHB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.46
Rot. Bonds3

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine (PubChem CID 116517537) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine
PubChem CID116517537
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine
SMILESNC(C1Cc2ccccc21)C1CC1c1ccccc1
InChIInChI=1S/C18H19N/c19-18(16-10-13-8-4-5-9-14(13)16)17-11-15(17)12-6-2-1-3-7-12/h1-9,15-18H,10-11,19H2
InChIKeyCBBVMIHDTMVUHB-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
CID 64984734
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(2-phenylcyclopropyl)-quinolin-2-ylmethanamine
CID 116517494
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66394223
(2-phenylcyclopropyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 116517749
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
CID 64984280

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine (CID 116517537) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine is NC(C1Cc2ccccc21)C1CC1c1ccccc1.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine?
The InChIKey is CBBVMIHDTMVUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c19-18(16-10-13-8-4-5-9-14(13)16)17-11-15(17)12-6-2-1-3-7-12/h1-9,15-18H,10-11,19H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).