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

C18H24ClNO — CID 114729243

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H24ClNO/c1-2-3-12-4-6-13(7-5-12)18(20)17-11-14-10-15(19)8-9-16(14)21-17/h8-13,18H,2-7,20H2,1H3
InChIKeyJQGVMWLNGZBGQO-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.69
Rot. Bonds4

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

(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine (PubChem CID 114729243) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
PubChem CID114729243
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H24ClNO/c1-2-3-12-4-6-13(7-5-12)18(20)17-11-14-10-15(19)8-9-16(14)21-17/h8-13,18H,2-7,20H2,1H3
InChIKeyJQGVMWLNGZBGQO-UHFFFAOYSA-N
XLogP5.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
(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-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine (CID 114729243) is (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)c2cc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine?
The InChIKey is JQGVMWLNGZBGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-2-3-12-4-6-13(7-5-12)18(20)17-11-14-10-15(19)8-9-16(14)21-17/h8-13,18H,2-7,20H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine?
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine has a molecular weight of 305.85 g/mol, XLogP of 5.69, 4 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-propylcyclohexyl)methanamine is sourced from PubChem (CID 114729243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).