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

C16H23NO2 — CID 115864482

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
SMILESCC1CCC(C(N)CCc2ccc3c(c2)CCO3)O1
InChIInChI=1S/C16H23NO2/c1-11-2-6-16(19-11)14(17)5-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11,14,16H,2-3,5-6,8-9,17H2,1H3
InChIKeyPCKYVCOCEXWDQB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.45
Rot. Bonds4

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

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 115864482) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID115864482
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
SMILESCC1CCC(C(N)CCc2ccc3c(c2)CCO3)O1
InChIInChI=1S/C16H23NO2/c1-11-2-6-16(19-11)14(17)5-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11,14,16H,2-3,5-6,8-9,17H2,1H3
InChIKeyPCKYVCOCEXWDQB-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 65444583
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
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-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine (CID 115864482) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine is CC1CCC(C(N)CCc2ccc3c(c2)CCO3)O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is PCKYVCOCEXWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-2-6-16(19-11)14(17)5-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11,14,16H,2-3,5-6,8-9,17H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.45, 4 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-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 115864482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).