3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine

C16H22ClNO2 — CID 116723202

IUPAC3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(Cl)cc2c1OCC2)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-2-19-16(10-3-4-10)14(18)9-12-8-13(17)7-11-5-6-20-15(11)12/h7-8,10,14,16H,2-6,9,18H2,1H3
InChIKeyWYNFNANSQALOSV-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.96
Rot. Bonds6

About 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine

3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine (PubChem CID 116723202) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine
PubChem CID116723202
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(Cl)cc2c1OCC2)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-2-19-16(10-3-4-10)14(18)9-12-8-13(17)7-11-5-6-20-15(11)12/h7-8,10,14,16H,2-6,9,18H2,1H3
InChIKeyWYNFNANSQALOSV-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717008
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721258
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine (CID 116723202) is 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine.
What is the SMILES notation for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The canonical SMILES for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine is CCOC(C(N)Cc1cc(Cl)cc2c1OCC2)C1CC1.
What is the InChIKey of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The InChIKey is WYNFNANSQALOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-19-16(10-3-4-10)14(18)9-12-8-13(17)7-11-5-6-20-15(11)12/h7-8,10,14,16H,2-6,9,18H2,1H3.
What are the key properties of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine?
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine has a molecular weight of 295.81 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine is sourced from PubChem (CID 116723202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).