1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine

C14H20FNO — CID 117347352

IUPAC1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)ccc(F)c1C
InChIInChI=1S/C14H20FNO/c1-10-12(15)7-6-11(13(10)17-2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyFTMSZCOITPZBBR-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine

1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine (PubChem CID 117347352) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
PubChem CID117347352
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)ccc(F)c1C
InChIInChI=1S/C14H20FNO/c1-10-12(15)7-6-11(13(10)17-2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyFTMSZCOITPZBBR-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-fluoro-4-(1-isocyanatocyclopropyl)-3-methoxy-2-methylbenzene
CID 117315366

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine (CID 117347352) is 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine is COc1c(C2(N)CCCCC2)ccc(F)c1C.
What is the InChIKey of 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine?
The InChIKey is FTMSZCOITPZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-12(15)7-6-11(13(10)17-2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine?
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117347352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).