2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine

C16H23NO — CID 114745190

IUPAC2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2cccc3c2OCC3)C1
InChIInChI=1S/C16H23NO/c1-11-4-2-6-13(10-11)15(17)14-7-3-5-12-8-9-18-16(12)14/h3,5,7,11,13,15H,2,4,6,8-10,17H2,1H3
InChIKeyPXFWZLHVSHEBET-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.45
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine

2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine (PubChem CID 114745190) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
PubChem CID114745190
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2cccc3c2OCC3)C1
InChIInChI=1S/C16H23NO/c1-11-4-2-6-13(10-11)15(17)14-7-3-5-12-8-9-18-16(12)14/h3,5,7,11,13,15H,2,4,6,8-10,17H2,1H3
InChIKeyPXFWZLHVSHEBET-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
[3,4-dihydro-2H-chromen-8-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210441
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 114745990
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105079651
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine (CID 114745190) is 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)c2cccc3c2OCC3)C1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine?
The InChIKey is PXFWZLHVSHEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-4-2-6-13(10-11)15(17)14-7-3-5-12-8-9-18-16(12)14/h3,5,7,11,13,15H,2,4,6,8-10,17H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 114745190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).