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

C17H17NO — CID 66394364

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)C1Cc2ccccc21
InChIInChI=1S/C17H17NO/c18-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-19-16/h1-6,9,15,17H,7-8,10,18H2
InChIKeyBRRZSQDJXUUMOO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.96
Rot. Bonds2

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 66394364) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID66394364
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)C1Cc2ccccc21
InChIInChI=1S/C17H17NO/c18-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-19-16/h1-6,9,15,17H,7-8,10,18H2
InChIKeyBRRZSQDJXUUMOO-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine 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

5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(bromo)methyl]-2,3-dihydro-1-benzofuran
CID 66396358
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105224868
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105003509
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 107127425
7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
CID 81228640

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 66394364) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is BRRZSQDJXUUMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-19-16/h1-6,9,15,17H,7-8,10,18H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 66394364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).