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

C17H19NO — CID 62722576

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO/c18-16(11-13-4-2-1-3-5-13)12-14-6-7-17-15(10-14)8-9-19-17/h1-7,10,16H,8-9,11-12,18H2
InChIKeyMZVDNUGGRUFKJY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine (PubChem CID 62722576) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
PubChem CID62722576
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO/c18-16(11-13-4-2-1-3-5-13)12-14-6-7-17-15(10-14)8-9-19-17/h1-7,10,16H,8-9,11-12,18H2
InChIKeyMZVDNUGGRUFKJY-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 104545252
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
5-(2-isocyanobutyl)-2,3-dihydro-1-benzofuran
CID 176776889
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
CID 18352745
2-benzyl-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 119233576

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine (CID 62722576) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine is NC(Cc1ccccc1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine?
The InChIKey is MZVDNUGGRUFKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-16(11-13-4-2-1-3-5-13)12-14-6-7-17-15(10-14)8-9-19-17/h1-7,10,16H,8-9,11-12,18H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.73, 4 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)-3-phenylpropan-2-amine is sourced from PubChem (CID 62722576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).