1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

C17H25NO2 — CID 116763076

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)C1(OC)CCCCC1
InChIInChI=1S/C17H25NO2/c1-18-16(17(19-2)9-4-3-5-10-17)14-6-7-15-13(12-14)8-11-20-15/h6-7,12,16,18H,3-5,8-11H2,1-2H3
InChIKeyTYYMOJSCHWQSKG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (PubChem CID 116763076) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
PubChem CID116763076
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)C1(OC)CCCCC1
InChIInChI=1S/C17H25NO2/c1-18-16(17(19-2)9-4-3-5-10-17)14-6-7-15-13(12-14)8-11-20-15/h6-7,12,16,18H,3-5,8-11H2,1-2H3
InChIKeyTYYMOJSCHWQSKG-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958684
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
CID 104995435

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (CID 116763076) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)C1(OC)CCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The InChIKey is TYYMOJSCHWQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-16(17(19-2)9-4-3-5-10-17)14-6-7-15-13(12-14)8-11-20-15/h6-7,12,16,18H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116763076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).