5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol

C17H27NO2 — CID 106147353

IUPAC5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO2/c1-17(2,8-3-10-19)13-18-9-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,18-19H,3,6-11,13H2,1-2H3
InChIKeyYNITVRHOQZDNNQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.55
Rot. Bonds8

About 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol

5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106147353) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID106147353
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H27NO2/c1-17(2,8-3-10-19)13-18-9-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,18-19H,3,6-11,13H2,1-2H3
InChIKeyYNITVRHOQZDNNQ-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414337
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 65446355
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol (CID 106147353) is 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is YNITVRHOQZDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,8-3-10-19)13-18-9-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,18-19H,3,6-11,13H2,1-2H3.
What are the key properties of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol?
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).