[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine

C15H21F2NO2 — CID 117459551

IUPAC[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cc(F)c(F)c1OC
InChIInChI=1S/C15H21F2NO2/c1-19-13-10(8-11(16)12(17)14(13)20-2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyLZGWJVZAHWUGKB-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.14
Rot. Bonds4

About [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine

[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117459551) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
PubChem CID117459551
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cc(F)c(F)c1OC
InChIInChI=1S/C15H21F2NO2/c1-19-13-10(8-11(16)12(17)14(13)20-2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyLZGWJVZAHWUGKB-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine (CID 117459551) is [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine is COc1c(C2(CN)CCCCC2)cc(F)c(F)c1OC.
What is the InChIKey of [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is LZGWJVZAHWUGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-19-13-10(8-11(16)12(17)14(13)20-2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3.
What are the key properties of [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine has a molecular weight of 285.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117459551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).