(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine

C17H22ClNO — CID 114729198

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H22ClNO/c1-2-11-3-5-12(6-4-11)17(19)16-10-13-9-14(18)7-8-15(13)20-16/h7-12,17H,2-6,19H2,1H3
InChIKeyGOOABIMHYFKYBL-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.30
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine

(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine (PubChem CID 114729198) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
PubChem CID114729198
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C17H22ClNO/c1-2-11-3-5-12(6-4-11)17(19)16-10-13-9-14(18)7-8-15(13)20-16/h7-12,17H,2-6,19H2,1H3
InChIKeyGOOABIMHYFKYBL-UHFFFAOYSA-N
XLogP5.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702
(5-chloro-1-benzofuran-2-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114729898

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine (CID 114729198) is (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine is CCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine?
The InChIKey is GOOABIMHYFKYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-2-11-3-5-12(6-4-11)17(19)16-10-13-9-14(18)7-8-15(13)20-16/h7-12,17H,2-6,19H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine?
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine has a molecular weight of 291.82 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 114729198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).