1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine

C17H22ClNO — CID 105045741

IUPAC1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H22ClNO/c18-14-7-9-16-13(10-14)11-17(20-16)15(19)8-6-12-4-2-1-3-5-12/h7,9-12,15H,1-6,8,19H2
InChIKeyQRFPJKFMAJEHGW-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.45
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine (PubChem CID 105045741) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
PubChem CID105045741
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H22ClNO/c18-14-7-9-16-13(10-14)11-17(20-16)15(19)8-6-12-4-2-1-3-5-12/h7,9-12,15H,1-6,8,19H2
InChIKeyQRFPJKFMAJEHGW-UHFFFAOYSA-N
XLogP5.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 114248905
[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
CID 105255679
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine (CID 105045741) is 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine is NC(CCC1CCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine?
The InChIKey is QRFPJKFMAJEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-14-7-9-16-13(10-14)11-17(20-16)15(19)8-6-12-4-2-1-3-5-12/h7,9-12,15H,1-6,8,19H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 105045741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).