2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol

C16H21NO2 — CID 80703135

IUPAC2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1coc2ccccc12
InChIInChI=1S/C16H21NO2/c18-15-7-3-1-5-12(15)9-17-10-13-11-19-16-8-4-2-6-14(13)16/h2,4,6,8,11-12,15,17-18H,1,3,5,7,9-10H2
InChIKeyIJLDSBFFUZMGPW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.07
Rot. Bonds4

About 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol

2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 80703135) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID80703135
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1coc2ccccc12
InChIInChI=1S/C16H21NO2/c18-15-7-3-1-5-12(15)9-17-10-13-11-19-16-8-4-2-6-14(13)16/h2,4,6,8,11-12,15,17-18H,1,3,5,7,9-10H2
InChIKeyIJLDSBFFUZMGPW-UHFFFAOYSA-N
XLogP3.07
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol (CID 80703135) is 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1coc2ccccc12.
What is the InChIKey of 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is IJLDSBFFUZMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15-7-3-1-5-12(15)9-17-10-13-11-19-16-8-4-2-6-14(13)16/h2,4,6,8,11-12,15,17-18H,1,3,5,7,9-10H2.
What are the key properties of 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 80703135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).