N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine

C17H24N2O2 — CID 62974116

IUPACN-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(CN2CCCOC(C)C2)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-13-11-19(8-5-9-20-13)12-17-15(10-18-2)14-6-3-4-7-16(14)21-17/h3-4,6-7,13,18H,5,8-12H2,1-2H3
InChIKeyVMTZRRDRIUUWLW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62974116) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62974116
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(CN2CCCOC(C)C2)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-13-11-19(8-5-9-20-13)12-17-15(10-18-2)14-6-3-4-7-16(14)21-17/h3-4,6-7,13,18H,5,8-12H2,1-2H3
InChIKeyVMTZRRDRIUUWLW-UHFFFAOYSA-N
XLogP2.76
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62438923
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62438605
1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 83219900
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62974110
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
CID 106589409

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine (CID 62974116) is N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine is CNCc1c(CN2CCCOC(C)C2)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is VMTZRRDRIUUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-11-19(8-5-9-20-13)12-17-15(10-18-2)14-6-3-4-7-16(14)21-17/h3-4,6-7,13,18H,5,8-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62974116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).