1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine

C18H21NO — CID 43482553

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-19-17(9-7-14-5-3-2-4-6-14)15-8-10-18-16(13-15)11-12-20-18/h2-6,8,10,13,17,19H,7,9,11-12H2,1H3
InChIKeyADKXYMDYKBZJDE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 43482553) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID43482553
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-19-17(9-7-14-5-3-2-4-6-14)15-8-10-18-16(13-15)11-12-20-18/h2-6,8,10,13,17,19H,7,9,11-12H2,1H3
InChIKeyADKXYMDYKBZJDE-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030944
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542648
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine (CID 43482553) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is ADKXYMDYKBZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-17(9-7-14-5-3-2-4-6-14)15-8-10-18-16(13-15)11-12-20-18/h2-6,8,10,13,17,19H,7,9,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 43482553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).