6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine

C12H17F3N2O — CID 115517420

IUPAC6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine
SMILESCOc1ccc(CC(N)CCCC(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-18-11-5-4-9(8-17-11)7-10(16)3-2-6-12(13,14)15/h4-5,8,10H,2-3,6-7,16H2,1H3
InChIKeyYXEPRQIWUKWBOE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.69
Rot. Bonds6

About 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine

6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine (PubChem CID 115517420) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine
PubChem CID115517420
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine
SMILESCOc1ccc(CC(N)CCCC(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-18-11-5-4-9(8-17-11)7-10(16)3-2-6-12(13,14)15/h4-5,8,10H,2-3,6-7,16H2,1H3
InChIKeyYXEPRQIWUKWBOE-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
CID 113326992
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
[1-(6-methoxy-3-pyridinyl)-6-methylheptan-2-yl]hydrazine
CID 105250649
4-cyclopentyl-1-(6-methoxy-3-pyridinyl)butan-2-ol
CID 114192018
[1-(6-methoxy-3-pyridinyl)-3-methylbut-3-en-2-yl]hydrazine
CID 105250613
N-ethyl-5-methoxy-1-(6-methoxy-3-pyridinyl)-5-methylhexan-2-amine
CID 103035933
2-(6-methoxy-3-pyridinyl)-1-quinolin-5-ylethanamine
CID 81229719
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 82823117

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine (CID 115517420) is 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine is COc1ccc(CC(N)CCCC(F)(F)F)cn1.
What is the InChIKey of 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine?
The InChIKey is YXEPRQIWUKWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-18-11-5-4-9(8-17-11)7-10(16)3-2-6-12(13,14)15/h4-5,8,10H,2-3,6-7,16H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine?
6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine is sourced from PubChem (CID 115517420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).