4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine

C16H24N2O — CID 116952305

IUPAC4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
SMILESCNC(c1ccc2c(c1)CCO2)C1CCC(N)CC1
InChIInChI=1S/C16H24N2O/c1-18-16(11-2-5-14(17)6-3-11)13-4-7-15-12(10-13)8-9-19-15/h4,7,10-11,14,16,18H,2-3,5-6,8-9,17H2,1H3
InChIKeyIUHPGVMZOFLWKV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds3

About 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine

4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine (PubChem CID 116952305) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
PubChem CID116952305
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
SMILESCNC(c1ccc2c(c1)CCO2)C1CCC(N)CC1
InChIInChI=1S/C16H24N2O/c1-18-16(11-2-5-14(17)6-3-11)13-4-7-15-12(10-13)8-9-19-15/h4,7,10-11,14,16,18H,2-3,5-6,8-9,17H2,1H3
InChIKeyIUHPGVMZOFLWKV-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 104542827
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
CID 104995435
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
[2,3-dihydro-1-benzofuran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333925
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine (CID 116952305) is 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine is CNC(c1ccc2c(c1)CCO2)C1CCC(N)CC1.
What is the InChIKey of 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine?
The InChIKey is IUHPGVMZOFLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-16(11-2-5-14(17)6-3-11)13-4-7-15-12(10-13)8-9-19-15/h4,7,10-11,14,16,18H,2-3,5-6,8-9,17H2,1H3.
What are the key properties of 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine?
4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116952305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).