2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine

C13H19NO2 — CID 83890042

IUPAC2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
SMILESCCOc1cc2c(cc1CCNC)OCC2
InChIInChI=1S/C13H19NO2/c1-3-15-12-9-11-5-7-16-13(11)8-10(12)4-6-14-2/h8-9,14H,3-7H2,1-2H3
InChIKeyFAOPTABBEVADLJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds5

About 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine

2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine (PubChem CID 83890042) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
PubChem CID83890042
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
SMILESCCOc1cc2c(cc1CCNC)OCC2
InChIInChI=1S/C13H19NO2/c1-3-15-12-9-11-5-7-16-13(11)8-10(12)4-6-14-2/h8-9,14H,3-7H2,1-2H3
InChIKeyFAOPTABBEVADLJ-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 83890043
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
CID 82606137
4-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)butanenitrile
CID 14484899
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine?
The IUPAC name of 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine (CID 83890042) is 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine is CCOc1cc2c(cc1CCNC)OCC2.
What is the InChIKey of 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine?
The InChIKey is FAOPTABBEVADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-15-12-9-11-5-7-16-13(11)8-10(12)4-6-14-2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine?
2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine is sourced from PubChem (CID 83890042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).