1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

C16H21NO — CID 105053189

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCC2)C1CC2CC2C1
InChIInChI=1S/C16H21NO/c1-17-15(13-8-11-7-12(11)9-13)14-4-2-3-10-5-6-18-16(10)14/h2-4,11-13,15,17H,5-9H2,1H3
InChIKeyRBVJVJICNZQQFG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 105053189) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID105053189
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCC2)C1CC2CC2C1
InChIInChI=1S/C16H21NO/c1-17-15(13-8-11-7-12(11)9-13)14-4-2-3-10-5-6-18-16(10)14/h2-4,11-13,15,17H,5-9H2,1H3
InChIKeyRBVJVJICNZQQFG-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114746006
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
CID 103517236
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 105053189) is 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is CNC(c1cccc2c1OCC2)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is RBVJVJICNZQQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-17-15(13-8-11-7-12(11)9-13)14-4-2-3-10-5-6-18-16(10)14/h2-4,11-13,15,17H,5-9H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 105053189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).