N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine

C20H23N — CID 60816005

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCC2Cc3ccccc32)C2CC2)cc1
InChIInChI=1S/C20H23N/c1-14-6-8-15(9-7-14)20(16-10-11-16)21-13-18-12-17-4-2-3-5-19(17)18/h2-9,16,18,20-21H,10-13H2,1H3
InChIKeyAQUUSCVAKWUSSD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.38
Rot. Bonds5

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine (PubChem CID 60816005) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
PubChem CID60816005
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCC2Cc3ccccc32)C2CC2)cc1
InChIInChI=1S/C20H23N/c1-14-6-8-15(9-7-14)20(16-10-11-16)21-13-18-12-17-4-2-3-5-19(17)18/h2-9,16,18,20-21H,10-13H2,1H3
InChIKeyAQUUSCVAKWUSSD-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine with MolForge

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Related Compounds

1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(4-methylphenyl)acetamide
CID 106151376
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
CID 62633000
N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43768434
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-fluorophenyl)ethanamine
CID 60816464
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
(1S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
CID 97327682
(1S)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
CID 97327684

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine (CID 60816005) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine is Cc1ccc(C(NCC2Cc3ccccc32)C2CC2)cc1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The InChIKey is AQUUSCVAKWUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-14-6-8-15(9-7-14)20(16-10-11-16)21-13-18-12-17-4-2-3-5-19(17)18/h2-9,16,18,20-21H,10-13H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 60816005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).