[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol

C14H19NO2 — CID 116944240

IUPAC[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
SMILESNC(c1ccc2c(c1)CCO2)C1(CO)CCC1
InChIInChI=1S/C14H19NO2/c15-13(14(9-16)5-1-6-14)11-2-3-12-10(8-11)4-7-17-12/h2-3,8,13,16H,1,4-7,9,15H2
InChIKeyMYFJELNZMHISJH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds3

About [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol

[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol (PubChem CID 116944240) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
PubChem CID116944240
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
SMILESNC(c1ccc2c(c1)CCO2)C1(CO)CCC1
InChIInChI=1S/C14H19NO2/c15-13(14(9-16)5-1-6-14)11-2-3-12-10(8-11)4-7-17-12/h2-3,8,13,16H,1,4-7,9,15H2
InChIKeyMYFJELNZMHISJH-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116942980
4-amino-3-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 66090066
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449

Frequently Asked Questions

What is the IUPAC name of [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol (CID 116944240) is [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol is NC(c1ccc2c(c1)CCO2)C1(CO)CCC1.
What is the InChIKey of [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol?
The InChIKey is MYFJELNZMHISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13(14(9-16)5-1-6-14)11-2-3-12-10(8-11)4-7-17-12/h2-3,8,13,16H,1,4-7,9,15H2.
What are the key properties of [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol?
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).