[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine

C17H22ClNO2 — CID 117492783

IUPAC[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCOc1cc(C2(CN)CCCCC2)c(Cl)c2cc(C)oc12
InChIInChI=1S/C17H22ClNO2/c1-11-8-12-15(18)13(9-14(20-2)16(12)21-11)17(10-19)6-4-3-5-7-17/h8-9H,3-7,10,19H2,1-2H3
InChIKeyDXQQMUZYHJJXNF-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.56
Rot. Bonds3

About [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine

[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine (PubChem CID 117492783) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
PubChem CID117492783
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCOc1cc(C2(CN)CCCCC2)c(Cl)c2cc(C)oc12
InChIInChI=1S/C17H22ClNO2/c1-11-8-12-15(18)13(9-14(20-2)16(12)21-11)17(10-19)6-4-3-5-7-17/h8-9H,3-7,10,19H2,1-2H3
InChIKeyDXQQMUZYHJJXNF-UHFFFAOYSA-N
XLogP4.56
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
CID 117402303
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
CID 117408247
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine (CID 117492783) is [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine is COc1cc(C2(CN)CCCCC2)c(Cl)c2cc(C)oc12.
What is the InChIKey of [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The InChIKey is DXQQMUZYHJJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-11-8-12-15(18)13(9-14(20-2)16(12)21-11)17(10-19)6-4-3-5-7-17/h8-9H,3-7,10,19H2,1-2H3.
What are the key properties of [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine has a molecular weight of 307.82 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117492783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).