(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine

C16H20ClNO2 — CID 104666705

IUPAC(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine
SMILESCOc1cc(Cl)cc2cc(C(N)C3CCCCC3)oc12
InChIInChI=1S/C16H20ClNO2/c1-19-14-9-12(17)7-11-8-13(20-16(11)14)15(18)10-5-3-2-4-6-10/h7-10,15H,2-6,18H2,1H3
InChIKeyAVHMPZNSWBAIPY-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.67
Rot. Bonds3

About (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine

(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine (PubChem CID 104666705) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine
PubChem CID104666705
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine
SMILESCOc1cc(Cl)cc2cc(C(N)C3CCCCC3)oc12
InChIInChI=1S/C16H20ClNO2/c1-19-14-9-12(17)7-11-8-13(20-16(11)14)15(18)10-5-3-2-4-6-10/h7-10,15H,2-6,18H2,1H3
InChIKeyAVHMPZNSWBAIPY-UHFFFAOYSA-N
XLogP4.67
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine
CID 65439495
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine?
The IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine (CID 104666705) is (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine is COc1cc(Cl)cc2cc(C(N)C3CCCCC3)oc12.
What is the InChIKey of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine?
The InChIKey is AVHMPZNSWBAIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-19-14-9-12(17)7-11-8-13(20-16(11)14)15(18)10-5-3-2-4-6-10/h7-10,15H,2-6,18H2,1H3.
What are the key properties of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine?
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 104666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).