2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine

C15H20ClNO — CID 113403553

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-13-7-11-5-6-18-15(11)12(8-13)9-14(17)10-3-1-2-4-10/h7-8,10,14H,1-6,9,17H2
InChIKeyOHNBWZDFPLACRN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.33
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine (PubChem CID 113403553) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
PubChem CID113403553
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-13-7-11-5-6-18-15(11)12(8-13)9-14(17)10-3-1-2-4-10/h7-8,10,14H,1-6,9,17H2
InChIKeyOHNBWZDFPLACRN-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
CID 115830818
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 116723202
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365169
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine (CID 113403553) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine is NC(Cc1cc(Cl)cc2c1OCC2)C1CCCC1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine?
The InChIKey is OHNBWZDFPLACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-7-11-5-6-18-15(11)12(8-13)9-14(17)10-3-1-2-4-10/h7-8,10,14H,1-6,9,17H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine has a molecular weight of 265.78 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine is sourced from PubChem (CID 113403553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).