3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol

C14H19NO2 — CID 21149702

IUPAC3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol
SMILESCCc1oc2ccccc2c1N(C)CCCO
InChIInChI=1S/C14H19NO2/c1-3-12-14(15(2)9-6-10-16)11-7-4-5-8-13(11)17-12/h4-5,7-8,16H,3,6,9-10H2,1-2H3
InChIKeyVVHRIXQVAWOFPI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds5

About 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol

3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol (PubChem CID 21149702) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol
PubChem CID21149702
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol
SMILESCCc1oc2ccccc2c1N(C)CCCO
InChIInChI=1S/C14H19NO2/c1-3-12-14(15(2)9-6-10-16)11-7-4-5-8-13(11)17-12/h4-5,7-8,16H,3,6,9-10H2,1-2H3
InChIKeyVVHRIXQVAWOFPI-UHFFFAOYSA-N
XLogP2.81
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Diphenyl-furan-3-yl)-morpholine
CID 10990391
4-(4-Methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 10173807
4-(4-Methoxyphenyl)-1-[(2-methylphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371410
1-[(2-Ethoxyphenyl)methyl]-4-(4-methoxyphenyl)-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371516
1-(3-Benzofuranyl)-4-(phenylmethyl)piperazine
CID 198587
1-Benzyl-4-(4-methoxyphenyl)-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371571
N-(2-acetyl-1-benzofuran-3-yl)-2-(piperidin-1-yl)acetamide
CID 566521
2,5-Diphenyl-3-piperidinofuran
CID 345229
tert-butyl N-(1-benzofuran-3-yl)carbamate
CID 129320172
1-Benzyl-2-oxo-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371394
4-(2-Methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371467
4-(4-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
CID 44371593

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol (CID 21149702) is 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol is CCc1oc2ccccc2c1N(C)CCCO.
What is the InChIKey of 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol?
The InChIKey is VVHRIXQVAWOFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12-14(15(2)9-6-10-16)11-7-4-5-8-13(11)17-12/h4-5,7-8,16H,3,6,9-10H2,1-2H3.
What are the key properties of 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol?
3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1-benzofuran-3-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 21149702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).