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

C16H22ClNO — CID 105031505

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)CC1CCCC1
InChIInChI=1S/C16H22ClNO/c17-14-8-12-5-6-19-16(12)13(9-14)10-15(18)7-11-3-1-2-4-11/h8-9,11,15H,1-7,10,18H2
InChIKeyHLSVXHFXSGBNEQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.72
Rot. Bonds4

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine (PubChem CID 105031505) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
PubChem CID105031505
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)CC1CCCC1
InChIInChI=1S/C16H22ClNO/c17-14-8-12-5-6-19-16(12)13(9-14)10-15(18)7-11-3-1-2-4-11/h8-9,11,15H,1-7,10,18H2
InChIKeyHLSVXHFXSGBNEQ-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
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-ethylsulfanylpropan-2-amine
CID 113403571
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
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
CID 105178397
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine (CID 105031505) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine is NC(Cc1cc(Cl)cc2c1OCC2)CC1CCCC1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine?
The InChIKey is HLSVXHFXSGBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-8-12-5-6-19-16(12)13(9-14)10-15(18)7-11-3-1-2-4-11/h8-9,11,15H,1-7,10,18H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine is sourced from PubChem (CID 105031505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).