3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol

C14H19NO2 — CID 112633647

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO2/c1-14(2)12(8-13(14)16)15-10-3-4-11-9(7-10)5-6-17-11/h3-4,7,12-13,15-16H,5-6,8H2,1-2H3
InChIKeyXURMIOVIMRXDOP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol

3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633647) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633647
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO2/c1-14(2)12(8-13(14)16)15-10-3-4-11-9(7-10)5-6-17-11/h3-4,7,12-13,15-16H,5-6,8H2,1-2H3
InChIKeyXURMIOVIMRXDOP-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
N-(3-methoxycyclobutyl)-2,3-dihydro-1-benzofuran-5-amine
CID 104871540
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43732703
5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
CID 43732708
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol (CID 112633647) is 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is XURMIOVIMRXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)12(8-13(14)16)15-10-3-4-11-9(7-10)5-6-17-11/h3-4,7,12-13,15-16H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.19, 2 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-5-ylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).