[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine

C15H20F3NO2 — CID 117488347

IUPAC[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESCOc1c(C(F)(F)F)ccc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-10(14(9-19)7-3-4-8-14)5-6-11(13(12)21-2)15(16,17)18/h5-6H,3-4,7-9,19H2,1-2H3
InChIKeyKLERKZDVZUXZIH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.49
Rot. Bonds4

About [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine

[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117488347) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
PubChem CID117488347
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESCOc1c(C(F)(F)F)ccc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-10(14(9-19)7-3-4-8-14)5-6-11(13(12)21-2)15(16,17)18/h5-6H,3-4,7-9,19H2,1-2H3
InChIKeyKLERKZDVZUXZIH-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117488343
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]cyclobutyl]methanamine
CID 117463419
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]cyclobutyl]methanamine
CID 117426610

Frequently Asked Questions

What is the IUPAC name of [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine (CID 117488347) is [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine is COc1c(C(F)(F)F)ccc(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is KLERKZDVZUXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-20-12-10(14(9-19)7-3-4-8-14)5-6-11(13(12)21-2)15(16,17)18/h5-6H,3-4,7-9,19H2,1-2H3.
What are the key properties of [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 303.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117488347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).