1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine

C15H22FNO2 — CID 117421966

IUPAC1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1c(OC)ccc(C2(N)CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-18-10-11-13(19-2)7-6-12(14(11)16)15(17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyKMUVARYSMSGECQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.10
Rot. Bonds4

About 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine

1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine (PubChem CID 117421966) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
PubChem CID117421966
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1c(OC)ccc(C2(N)CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-18-10-11-13(19-2)7-6-12(14(11)16)15(17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyKMUVARYSMSGECQ-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
2-fluoro-1-(1-isocyanatocyclopentyl)-4-methoxy-3-(methoxymethyl)benzene
CID 117447707
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine (CID 117421966) is 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine is COCc1c(OC)ccc(C2(N)CCCCC2)c1F.
What is the InChIKey of 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The InChIKey is KMUVARYSMSGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-10-11-13(19-2)7-6-12(14(11)16)15(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-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117421966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).