1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine

C12H15F3N2O — CID 64573971

IUPAC1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
SMILESNC1(COc2ncccc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-3-7-17-10(9)18-8-11(16)5-1-2-6-11/h3-4,7H,1-2,5-6,8,16H2
InChIKeyKKQHKEUPHJMPEP-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.75
Rot. Bonds3

About 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine

1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine (PubChem CID 64573971) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
PubChem CID64573971
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
SMILESNC1(COc2ncccc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-3-7-17-10(9)18-8-11(16)5-1-2-6-11/h3-4,7H,1-2,5-6,8,16H2
InChIKeyKKQHKEUPHJMPEP-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide
CID 64549575
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
1-[(3-methylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine
CID 83064105
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 166104439
[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
CID 115008718
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
1-[(1-methylimidazo[4,5-c]pyridin-4-yl)oxymethyl]cyclopentan-1-amine
CID 103386304
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
1-(quinolin-8-ylmethoxymethyl)cyclopentan-1-amine
CID 64574612
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine (CID 64573971) is 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine is NC1(COc2ncccc2C(F)(F)F)CCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine?
The InChIKey is KKQHKEUPHJMPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-4-3-7-17-10(9)18-8-11(16)5-1-2-6-11/h3-4,7H,1-2,5-6,8,16H2.
What are the key properties of 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine?
1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine has a molecular weight of 260.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64573971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).