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

C15H23NO2 — CID 114169479

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO2/c1-3-8-15(2,17)11-16-10-13-9-12-6-4-5-7-14(12)18-13/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyFUWQSECYHABZFK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.13
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol (PubChem CID 114169479) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
PubChem CID114169479
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO2/c1-3-8-15(2,17)11-16-10-13-9-12-6-4-5-7-14(12)18-13/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyFUWQSECYHABZFK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol (CID 114169479) is 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol?
The InChIKey is FUWQSECYHABZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-15(2,17)11-16-10-13-9-12-6-4-5-7-14(12)18-13/h4-7,13,16-17H,3,8-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol?
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 114169479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).