[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine

C13H18FNO2 — CID 117351120

IUPAC[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cc(CF)cc(C2(CN)CC2)c1OC
InChIInChI=1S/C13H18FNO2/c1-16-11-6-9(7-14)5-10(12(11)17-2)13(8-15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyXGPXCAXQZDVDOZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.16
Rot. Bonds5

About [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine

[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine (PubChem CID 117351120) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
PubChem CID117351120
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cc(CF)cc(C2(CN)CC2)c1OC
InChIInChI=1S/C13H18FNO2/c1-16-11-6-9(7-14)5-10(12(11)17-2)13(8-15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyXGPXCAXQZDVDOZ-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117424265
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117477555
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
CID 117386387
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054

Frequently Asked Questions

What is the IUPAC name of [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine (CID 117351120) is [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine is COc1cc(CF)cc(C2(CN)CC2)c1OC.
What is the InChIKey of [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine?
The InChIKey is XGPXCAXQZDVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-11-6-9(7-14)5-10(12(11)17-2)13(8-15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3.
What are the key properties of [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine?
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117351120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).