2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol

C13H19NO2 — CID 65188279

IUPAC2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO2/c1-2-9(6-14)13(15)10-3-4-11-7-16-8-12(11)5-10/h3-5,9,13,15H,2,6-8,14H2,1H3
InChIKeyRVYHCEFMCPGVSK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds4

About 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol

2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol (PubChem CID 65188279) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
PubChem CID65188279
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO2/c1-2-9(6-14)13(15)10-3-4-11-7-16-8-12(11)5-10/h3-5,9,13,15H,2,6-8,14H2,1H3
InChIKeyRVYHCEFMCPGVSK-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
CID 117317830
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
CID 63020243
(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
CID 96752946
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
CID 107002520
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
CID 63019737

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol (CID 65188279) is 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol is CCC(CN)C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol?
The InChIKey is RVYHCEFMCPGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-9(6-14)13(15)10-3-4-11-7-16-8-12(11)5-10/h3-5,9,13,15H,2,6-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol?
2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol is sourced from PubChem (CID 65188279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).