N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

C18H25NO2 — CID 62443561

IUPACN-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-13-7-9-14(10-8-13)20-12-18-16(11-19-2)15-5-3-4-6-17(15)21-18/h3-6,13-14,19H,7-12H2,1-2H3
InChIKeyKXNMLZQRLSHMPE-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62443561) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
PubChem CID62443561
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-13-7-9-14(10-8-13)20-12-18-16(11-19-2)15-5-3-4-6-17(15)21-18/h3-6,13-14,19H,7-12H2,1-2H3
InChIKeyKXNMLZQRLSHMPE-UHFFFAOYSA-N
XLogP4.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62470710
[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 64729828
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62431444
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (CID 62443561) is N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is CNCc1c(COC2CCC(C)CC2)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is KXNMLZQRLSHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-9-14(10-8-13)20-12-18-16(11-19-2)15-5-3-4-6-17(15)21-18/h3-6,13-14,19H,7-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62443561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).