[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine

C15H22FNO — CID 117382107

IUPAC[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C)c(F)c1C1(CN)CCCCC1
InChIInChI=1S/C15H22FNO/c1-11-6-7-12(18-2)13(14(11)16)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyYXPNMGHLUURZOI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.30
Rot. Bonds3

About [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine

[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine (PubChem CID 117382107) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
PubChem CID117382107
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C)c(F)c1C1(CN)CCCCC1
InChIInChI=1S/C15H22FNO/c1-11-6-7-12(18-2)13(14(11)16)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyYXPNMGHLUURZOI-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine (CID 117382107) is [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine is COc1ccc(C)c(F)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine?
The InChIKey is YXPNMGHLUURZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-6-7-12(18-2)13(14(11)16)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3.
What are the key properties of [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine?
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117382107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).