4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine

C11H14F2N2O — CID 102729336

IUPAC4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ncc(F)cc2F)CC1
InChIInChI=1S/C11H14F2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h5-6,8-9H,1-4,14H2
InChIKeyBDCOUXHYTIACHG-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.01
Rot. Bonds2

About 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine

4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 102729336) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID102729336
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ncc(F)cc2F)CC1
InChIInChI=1S/C11H14F2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h5-6,8-9H,1-4,14H2
InChIKeyBDCOUXHYTIACHG-UHFFFAOYSA-N
XLogP2.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclopentan-1-amine
CID 79734556
3,5-difluoro-2-pyrrolidin-3-yloxypyridine
CID 67479860
2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine
CID 139373359
5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine
CID 79727198
6-(3-bicyclo[3.1.0]hexanyloxy)-5-fluoropyridin-3-amine
CID 170720420
6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine
CID 171579635
7-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane
CID 175711435
2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid
CID 114034132
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
CID 134515125
5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
CID 79733625
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 102729336) is 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine is NC1CCC(Oc2ncc(F)cc2F)CC1.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is BDCOUXHYTIACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h5-6,8-9H,1-4,14H2.
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine?
4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 228.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 102729336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).