2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol

C12H15NO2 — CID 80702163

IUPAC2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
SMILESNCC(CO)Cc1coc2ccccc12
InChIInChI=1S/C12H15NO2/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2
InChIKeyRARIDMSFYDZIIQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.54
Rot. Bonds4

About 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol

2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol (PubChem CID 80702163) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
PubChem CID80702163
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
SMILESNCC(CO)Cc1coc2ccccc12
InChIInChI=1S/C12H15NO2/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2
InChIKeyRARIDMSFYDZIIQ-UHFFFAOYSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
[(1S)-2-(1-benzofuran-3-yl)-1-chloroethyl]boronic acid
CID 175781781
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
CID 176726090
CID 176726090
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol (CID 80702163) is 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol is NCC(CO)Cc1coc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol?
The InChIKey is RARIDMSFYDZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2.
What are the key properties of 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol?
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol is sourced from PubChem (CID 80702163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).