3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol

C16H23NO2 — CID 166892606

IUPAC3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol
SMILESCCCC(c1ccc2occc2c1)C(CO)NCC
InChIInChI=1S/C16H23NO2/c1-3-5-14(15(11-18)17-4-2)12-6-7-16-13(10-12)8-9-19-16/h6-10,14-15,17-18H,3-5,11H2,1-2H3
InChIKeyHZBSBTXDQGOHRP-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.29
Rot. Bonds7

About 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol

3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol (PubChem CID 166892606) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol
PubChem CID166892606
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol
SMILESCCCC(c1ccc2occc2c1)C(CO)NCC
InChIInChI=1S/C16H23NO2/c1-3-5-14(15(11-18)17-4-2)12-6-7-16-13(10-12)8-9-19-16/h6-10,14-15,17-18H,3-5,11H2,1-2H3
InChIKeyHZBSBTXDQGOHRP-UHFFFAOYSA-N
XLogP3.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bufuralol
CID 71733
GE 68
CID 133044
5-(2-Aminopropyl)benzofuran
CID 9837232
7,8,9,10-tetrahydro-6H-furo[2,3-i][3]benzazepine
CID 44451369
2-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]-2-propanol
CID 11187623
[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanol
CID 11232950
[4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanol
CID 11283135
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanol
CID 11340988
N-(2-Naphtho[2,1-b]furan-9-yl-ethyl)-acetamide
CID 15340631
(3S,6S)-6-benzhydryl-N-(1-benzofuran-5-ylmethyl)oxan-3-amine
CID 101897892
Bufuralol hydrochloride
CID 151573
7-(2-Aminopropyl)benzofuran
CID 10130548

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol?
The IUPAC name of 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol (CID 166892606) is 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol?
The canonical SMILES for 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol is CCCC(c1ccc2occc2c1)C(CO)NCC.
What is the InChIKey of 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol?
The InChIKey is HZBSBTXDQGOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-14(15(11-18)17-4-2)12-6-7-16-13(10-12)8-9-19-16/h6-10,14-15,17-18H,3-5,11H2,1-2H3.
What are the key properties of 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol?
3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol is sourced from PubChem (CID 166892606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).