1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine

C17H19NO2 — CID 63021274

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H19NO2/c1-19-16-4-2-3-12(7-16)8-17(18)13-5-6-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11,18H2,1H3
InChIKeyFIUGZYHSWMOAGA-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 63021274) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID63021274
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H19NO2/c1-19-16-4-2-3-12(7-16)8-17(18)13-5-6-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11,18H2,1H3
InChIKeyFIUGZYHSWMOAGA-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43186861
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine (CID 63021274) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is FIUGZYHSWMOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-16-4-2-3-12(7-16)8-17(18)13-5-6-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11,18H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 269.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 63021274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).