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

C18H21NO — CID 104545252

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-13-17(15-5-3-2-4-6-15)12-14-7-8-18-16(11-14)9-10-20-18/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyJFIKPKFKIDCSLM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.17
Rot. Bonds5

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 104545252) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID104545252
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-13-17(15-5-3-2-4-6-15)12-14-7-8-18-16(11-14)9-10-20-18/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyJFIKPKFKIDCSLM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
CID 18352745
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
5-(2-isocyanobutyl)-2,3-dihydro-1-benzofuran
CID 176776889
(2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonylamino]-2-phenylacetic acid
CID 122069451
(2S)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonylamino]-2-phenylacetic acid
CID 122067700
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
CID 43804387
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine (CID 104545252) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is JFIKPKFKIDCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-13-17(15-5-3-2-4-6-15)12-14-7-8-18-16(11-14)9-10-20-18/h2-8,11,17,19H,9-10,12-13H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 104545252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).