2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol

C17H19NO2 — CID 79226740

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
SMILESOC(CNCC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,14,16,18-19H,10-12H2
InChIKeyBVTLOPKENWWIEB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.49
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol (PubChem CID 79226740) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
PubChem CID79226740
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
SMILESOC(CNCC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,14,16,18-19H,10-12H2
InChIKeyBVTLOPKENWWIEB-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79227069
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol (CID 79226740) is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol is OC(CNCC1COc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol?
The InChIKey is BVTLOPKENWWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16(13-6-2-1-3-7-13)11-18-10-14-12-20-17-9-5-4-8-15(14)17/h1-9,14,16,18-19H,10-12H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol?
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol has a molecular weight of 269.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol is sourced from PubChem (CID 79226740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).