[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine

C17H25NO2 — CID 66348952

IUPAC[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(OCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C17H25NO2/c1-13-6-8-17(12-18,9-7-13)19-11-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,18H2,1H3
InChIKeyVKAAZORCKVACOC-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.91
Rot. Bonds4

About [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine

[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine (PubChem CID 66348952) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine
PubChem CID66348952
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(OCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C17H25NO2/c1-13-6-8-17(12-18,9-7-13)19-11-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,18H2,1H3
InChIKeyVKAAZORCKVACOC-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)cyclopentyl]methanamine
CID 66348950
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine
CID 66360165
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63767439
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119430
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
5-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-methylpiperidine
CID 66363596
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine (CID 66348952) is [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(OCC2Cc3ccccc3O2)CC1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is VKAAZORCKVACOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-8-17(12-18,9-7-13)19-11-15-10-14-4-2-3-5-16(14)20-15/h2-5,13,15H,6-12,18H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine?
[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 2.91, 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-2-ylmethoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 66348952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).