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

C18H27NO2 — CID 66361165

IUPAC[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
SMILESCc1ccc2c(c1)CC(CNC1(CO)CCC(C)CC1)O2
InChIInChI=1S/C18H27NO2/c1-13-5-7-18(12-20,8-6-13)19-11-16-10-15-9-14(2)3-4-17(15)21-16/h3-4,9,13,16,19-20H,5-8,10-12H2,1-2H3
InChIKeyYJFDISYCVJDMJV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.83
Rot. Bonds4

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

[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 66361165) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
PubChem CID66361165
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
SMILESCc1ccc2c(c1)CC(CNC1(CO)CCC(C)CC1)O2
InChIInChI=1S/C18H27NO2/c1-13-5-7-18(12-20,8-6-13)19-11-16-10-15-9-14(2)3-4-17(15)21-16/h3-4,9,13,16,19-20H,5-8,10-12H2,1-2H3
InChIKeyYJFDISYCVJDMJV-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol (CID 66361165) is [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol is Cc1ccc2c(c1)CC(CNC1(CO)CCC(C)CC1)O2.
What is the InChIKey of [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is YJFDISYCVJDMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-5-7-18(12-20,8-6-13)19-11-16-10-15-9-14(2)3-4-17(15)21-16/h3-4,9,13,16,19-20H,5-8,10-12H2,1-2H3.
What are the key properties of [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol?
[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 289.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 66361165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).