[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol

C17H25NO2 — CID 79137707

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO2/c1-12-3-2-7-17(10-12,11-18)16(19)14-4-5-15-13(9-14)6-8-20-15/h4-5,9,12,16,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHUYFBNZYLHCVSF-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.81
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 79137707) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID79137707
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO2/c1-12-3-2-7-17(10-12,11-18)16(19)14-4-5-15-13(9-14)6-8-20-15/h4-5,9,12,16,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHUYFBNZYLHCVSF-UHFFFAOYSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 79137707) is [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol is CC1CCCC(CN)(C(O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is HUYFBNZYLHCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-3-2-7-17(10-12,11-18)16(19)14-4-5-15-13(9-14)6-8-20-15/h4-5,9,12,16,19H,2-3,6-8,10-11,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 275.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 79137707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).