3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine

C16H23NO2 — CID 116713989

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
SMILESCOC1(C(N)CCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-2-9-16)15(17)6-4-12-3-5-14-13(11-12)7-10-19-14/h3,5,11,15H,2,4,6-10,17H2,1H3
InChIKeyZGIUFURTNBUKGI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine (PubChem CID 116713989) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
PubChem CID116713989
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
SMILESCOC1(C(N)CCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-2-9-16)15(17)6-4-12-3-5-14-13(11-12)7-10-19-14/h3,5,11,15H,2,4,6-10,17H2,1H3
InChIKeyZGIUFURTNBUKGI-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-ethylcyclopentyl)propan-1-ol
CID 115802827
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102950820
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine (CID 116713989) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine is COC1(C(N)CCc2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine?
The InChIKey is ZGIUFURTNBUKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-16(8-2-9-16)15(17)6-4-12-3-5-14-13(11-12)7-10-19-14/h3,5,11,15H,2,4,6-10,17H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine is sourced from PubChem (CID 116713989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).