1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine

C16H21NO2 — CID 65441197

IUPAC1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNC(c1cc2cc(CCOC)ccc2o1)C1CC1
InChIInChI=1S/C16H21NO2/c1-17-16(12-4-5-12)15-10-13-9-11(7-8-18-2)3-6-14(13)19-15/h3,6,9-10,12,16-17H,4-5,7-8H2,1-2H3
InChIKeyFFJGPNQNAQVPCW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.29
Rot. Bonds6

About 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine

1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 65441197) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID65441197
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNC(c1cc2cc(CCOC)ccc2o1)C1CC1
InChIInChI=1S/C16H21NO2/c1-17-16(12-4-5-12)15-10-13-9-11(7-8-18-2)3-6-14(13)19-15/h3,6,9-10,12,16-17H,4-5,7-8H2,1-2H3
InChIKeyFFJGPNQNAQVPCW-UHFFFAOYSA-N
XLogP3.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine
CID 65439652
N-ethyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]ethanamine
CID 65438441
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
CID 65438398
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
CID 65427667
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 107669295
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 113304928
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 114728254
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine (CID 65441197) is 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine is CNC(c1cc2cc(CCOC)ccc2o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is FFJGPNQNAQVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-16(12-4-5-12)15-10-13-9-11(7-8-18-2)3-6-14(13)19-15/h3,6,9-10,12,16-17H,4-5,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65441197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).