N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine

C16H23NO2 — CID 55131785

IUPACN-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)C1CCOCC1
InChIInChI=1S/C16H23NO2/c1-11-9-14-10-13(3-4-15(14)19-11)16(17-2)12-5-7-18-8-6-12/h3-4,10-12,16-17H,5-9H2,1-2H3
InChIKeyUIVNSSJSPILWRS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine

N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine (PubChem CID 55131785) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
PubChem CID55131785
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)O2)C1CCOCC1
InChIInChI=1S/C16H23NO2/c1-11-9-14-10-13(3-4-15(14)19-11)16(17-2)12-5-7-18-8-6-12/h3-4,10-12,16-17H,5-9H2,1-2H3
InChIKeyUIVNSSJSPILWRS-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
CID 61277092
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(1,1-dioxothian-2-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104518545
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107177306
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
1-(furan-3-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487185
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
CID 116952305

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine (CID 55131785) is N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine is CNC(c1ccc2c(c1)CC(C)O2)C1CCOCC1.
What is the InChIKey of N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is UIVNSSJSPILWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-14-10-13(3-4-15(14)19-11)16(17-2)12-5-7-18-8-6-12/h3-4,10-12,16-17H,5-9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine?
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55131785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).