[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine

C18H27NO2 — CID 66360165

IUPAC[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine
SMILESCc1ccc2c(c1)CC(COC1(CN)CCCC(C)C1)O2
InChIInChI=1S/C18H27NO2/c1-13-5-6-17-15(8-13)9-16(21-17)11-20-18(12-19)7-3-4-14(2)10-18/h5-6,8,14,16H,3-4,7,9-12,19H2,1-2H3
InChIKeyWZBFEXOPHLRQFM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.22
Rot. Bonds4

About [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine

[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine (PubChem CID 66360165) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine
PubChem CID66360165
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine
SMILESCc1ccc2c(c1)CC(COC1(CN)CCCC(C)C1)O2
InChIInChI=1S/C18H27NO2/c1-13-5-6-17-15(8-13)9-16(21-17)11-20-18(12-19)7-3-4-14(2)10-18/h5-6,8,14,16H,3-4,7,9-12,19H2,1-2H3
InChIKeyWZBFEXOPHLRQFM-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine with MolForge

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Related Compounds

[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-4-methylcyclohexyl]methanamine
CID 66348952
[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)cyclopentyl]methanamine
CID 66348950
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314
[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052350
3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 66391779
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 66392942
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 66361411

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine (CID 66360165) is [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine is Cc1ccc2c(c1)CC(COC1(CN)CCCC(C)C1)O2.
What is the InChIKey of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is WZBFEXOPHLRQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-5-6-17-15(8-13)9-16(21-17)11-20-18(12-19)7-3-4-14(2)10-18/h5-6,8,14,16H,3-4,7,9-12,19H2,1-2H3.
What are the key properties of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine?
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 66360165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).