3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

C19H21NO2 — CID 58088427

IUPAC3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H21NO2/c1-20-12-11-16(14-7-4-3-5-8-14)18-13-15-9-6-10-17(21-2)19(15)22-18/h3-10,13,16,20H,11-12H2,1-2H3
InChIKeyIPDFBCSYHSSQSK-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.18
Rot. Bonds6

About 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088427) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58088427
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H21NO2/c1-20-12-11-16(14-7-4-3-5-8-14)18-13-15-9-6-10-17(21-2)19(15)22-18/h3-10,13,16,20H,11-12H2,1-2H3
InChIKeyIPDFBCSYHSSQSK-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088467
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
2-(2-ethylphenyl)-7-methoxy-1-benzofuran
CID 22734156
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115906657
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (CID 58088427) is 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1cc2cccc(OC)c2o1.
What is the InChIKey of 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is IPDFBCSYHSSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-12-11-16(14-7-4-3-5-8-14)18-13-15-9-6-10-17(21-2)19(15)22-18/h3-10,13,16,20H,11-12H2,1-2H3.
What are the key properties of 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).