[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

C18H25NO2 — CID 64729828

IUPAC[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCC1CC(C)CC(OCc2oc3ccccc3c2CN)C1
InChIInChI=1S/C18H25NO2/c1-12-7-13(2)9-14(8-12)20-11-18-16(10-19)15-5-3-4-6-17(15)21-18/h3-6,12-14H,7-11,19H2,1-2H3
InChIKeyNWHPECWUVJFPGE-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.23
Rot. Bonds4

About [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (PubChem CID 64729828) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
PubChem CID64729828
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCC1CC(C)CC(OCc2oc3ccccc3c2CN)C1
InChIInChI=1S/C18H25NO2/c1-12-7-13(2)9-14(8-12)20-11-18-16(10-19)15-5-3-4-6-17(15)21-18/h3-6,12-14H,7-11,19H2,1-2H3
InChIKeyNWHPECWUVJFPGE-UHFFFAOYSA-N
XLogP4.23
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine 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

N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
[2-(but-2-enoxymethyl)-1-benzofuran-3-yl]methanamine
CID 76943731
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine
CID 63937784
[2-(3,5-dimethylcyclohexyl)oxynaphthalen-1-yl]methanamine
CID 64735117
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (CID 64729828) is [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is CC1CC(C)CC(OCc2oc3ccccc3c2CN)C1.
What is the InChIKey of [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is NWHPECWUVJFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-7-13(2)9-14(8-12)20-11-18-16(10-19)15-5-3-4-6-17(15)21-18/h3-6,12-14H,7-11,19H2,1-2H3.
What are the key properties of [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 64729828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).