N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine

C18H21NO2 — CID 63019538

IUPACN-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO2/c1-3-19-18(13-5-4-6-17(10-13)20-2)14-7-8-15-11-21-12-16(15)9-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyCGMHNCPQJWPKFW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds5

About N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine

N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 63019538) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
PubChem CID63019538
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO2/c1-3-19-18(13-5-4-6-17(10-13)20-2)14-7-8-15-11-21-12-16(15)9-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyCGMHNCPQJWPKFW-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
[1,3-dihydro-2-benzofuran-5-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105328022
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine (CID 63019538) is N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is CGMHNCPQJWPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-18(13-5-4-6-17(10-13)20-2)14-7-8-15-11-21-12-16(15)9-14/h4-10,18-19H,3,11-12H2,1-2H3.
What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine?
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63019538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).