1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C15H17NO — CID 60816926

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3ccccc32)o1
InChIInChI=1S/C15H17NO/c1-11-6-7-14(17-11)10-16-9-13-8-12-4-2-3-5-15(12)13/h2-7,13,16H,8-10H2,1H3
InChIKeyLJFPRYIXSFZGQG-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.02
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 60816926) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID60816926
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3ccccc32)o1
InChIInChI=1S/C15H17NO/c1-11-6-7-14(17-11)10-16-9-13-8-12-4-2-3-5-15(12)13/h2-7,13,16H,8-10H2,1H3
InChIKeyLJFPRYIXSFZGQG-UHFFFAOYSA-N
XLogP3.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-ethylfuran-2-yl)methyl]methanamine
CID 62346347
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 60816794
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107166183
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(furan-3-ylmethyl)methanamine
CID 63204459
2-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)methyl]-6-methylphenol
CID 112554699
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 60817584
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 62131687
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromoethanamine
CID 114505182

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 60816926) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCC2Cc3ccccc32)o1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is LJFPRYIXSFZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-7-14(17-11)10-16-9-13-8-12-4-2-3-5-15(12)13/h2-7,13,16H,8-10H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 60816926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).