3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

C19H21NO2 — CID 58088467

IUPAC3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2c(OC)cccc2o1
InChIInChI=1S/C19H21NO2/c1-20-12-11-15(14-7-4-3-5-8-14)19-13-16-17(21-2)9-6-10-18(16)22-19/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyRVVCJJHYGUALSG-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.18
Rot. Bonds6

About 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine

3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088467) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58088467
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2c(OC)cccc2o1
InChIInChI=1S/C19H21NO2/c1-20-12-11-15(14-7-4-3-5-8-14)19-13-16-17(21-2)9-6-10-18(16)22-19/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyRVVCJJHYGUALSG-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-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088427
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
1-(4-methoxy-1-benzofuran-2-yl)-N-methylpropan-2-amine
CID 117194547
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
CID 57308610
3-(6-methoxy-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088610
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
CID 154511007

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine (CID 58088467) is 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1cc2c(OC)cccc2o1.
What is the InChIKey of 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is RVVCJJHYGUALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-12-11-15(14-7-4-3-5-8-14)19-13-16-17(21-2)9-6-10-18(16)22-19/h3-10,13,15,20H,11-12H2,1-2H3.
What are the key properties of 3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine?
3-(4-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-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).