3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol

C15H23NO2 — CID 114154063

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC1COc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-15(2,8-9-17)16-10-12-11-18-14-7-5-4-6-13(12)14/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyTUOBAFMXZRRHLS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.30
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol

3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol (PubChem CID 114154063) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
PubChem CID114154063
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC1COc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-15(2,8-9-17)16-10-12-11-18-14-7-5-4-6-13(12)14/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyTUOBAFMXZRRHLS-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103945735
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-3-amine
CID 79229605
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol (CID 114154063) is 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol?
The InChIKey is TUOBAFMXZRRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(2,8-9-17)16-10-12-11-18-14-7-5-4-6-13(12)14/h4-7,12,16-17H,3,8-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol?
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 114154063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).