[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 93297931
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 93297932
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
CID 79134896
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544809
[1-(aminomethyl)cyclobutyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135284
[3-(aminomethyl)oxan-3-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 103716034
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061

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).