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

C16H23NO2 — CID 66360581

IUPAC2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
SMILESCc1ccc2c(c1)CC(CNC1CCCCC1O)O2
InChIInChI=1S/C16H23NO2/c1-11-6-7-16-12(8-11)9-13(19-16)10-17-14-4-2-3-5-15(14)18/h6-8,13-15,17-18H,2-5,9-10H2,1H3
InChIKeyIVTHXDXNLNQAHZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.19
Rot. Bonds3

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

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 66360581) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
PubChem CID66360581
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
SMILESCc1ccc2c(c1)CC(CNC1CCCCC1O)O2
InChIInChI=1S/C16H23NO2/c1-11-6-7-16-12(8-11)9-13(19-16)10-17-14-4-2-3-5-15(14)18/h6-8,13-15,17-18H,2-5,9-10H2,1H3
InChIKeyIVTHXDXNLNQAHZ-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol (CID 66360581) is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol is Cc1ccc2c(c1)CC(CNC1CCCCC1O)O2.
What is the InChIKey of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is IVTHXDXNLNQAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-7-16-12(8-11)9-13(19-16)10-17-14-4-2-3-5-15(14)18/h6-8,13-15,17-18H,2-5,9-10H2,1H3.
What are the key properties of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol?
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 66360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).