1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine

C14H20FNO — CID 117347338

IUPAC1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1CF
InChIInChI=1S/C14H20FNO/c1-17-13-7-5-6-12(11(13)10-15)14(16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyIIFSOXWSZGWUKX-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine

1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine (PubChem CID 117347338) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
PubChem CID117347338
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1CF
InChIInChI=1S/C14H20FNO/c1-17-13-7-5-6-12(11(13)10-15)14(16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyIIFSOXWSZGWUKX-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421966
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
CID 117391217
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine (CID 117347338) is 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine is COc1cccc(C2(N)CCCCC2)c1CF.
What is the InChIKey of 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine?
The InChIKey is IIFSOXWSZGWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-17-13-7-5-6-12(11(13)10-15)14(16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine?
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).