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-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-(Benzyloxy)pyridine
CID 295859
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
[2-(Cyclohexyloxy)pyridin-4-yl]methanamine
CID 16780874
(2-Phenoxypyridin-4-yl)methanamine
CID 16785630
US10155760, Example 194
CID 118420039
US10155760, Example 193
CID 118429814

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).