2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol

C18H19NO2 — CID 115630511

IUPAC2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-18(13-20,15-8-3-2-4-9-15)19-12-16-11-14-7-5-6-10-17(14)21-16/h2-11,19-20H,12-13H2,1H3
InChIKeyKDGZDMLRZQTQHE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds5

About 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol

2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol (PubChem CID 115630511) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
PubChem CID115630511
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-18(13-20,15-8-3-2-4-9-15)19-12-16-11-14-7-5-6-10-17(14)21-16/h2-11,19-20H,12-13H2,1H3
InChIKeyKDGZDMLRZQTQHE-UHFFFAOYSA-N
XLogP3.43
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
CID 55081813
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 103793108
4-(1-benzofuran-2-ylmethylamino)-3-methylbenzoic acid
CID 43736002
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
CID 105057817

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol (CID 115630511) is 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol is CC(CO)(NCc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol?
The InChIKey is KDGZDMLRZQTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(13-20,15-8-3-2-4-9-15)19-12-16-11-14-7-5-6-10-17(14)21-16/h2-11,19-20H,12-13H2,1H3.
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol?
2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 115630511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).