4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine

C21H21F2N3O — CID 174970178

IUPAC4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine
SMILESCNCCCCOc1ccncc1-c1cccnc1-c1c(F)cccc1F
InChIInChI=1S/C21H21F2N3O/c1-24-10-2-3-13-27-19-9-12-25-14-16(19)15-6-5-11-26-21(15)20-17(22)7-4-8-18(20)23/h4-9,11-12,14,24H,2-3,10,13H2,1H3
InChIKeyBQZFQDCIOALHHW-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.47
Rot. Bonds8

About 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine

4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine (PubChem CID 174970178) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine
PubChem CID174970178
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine
SMILESCNCCCCOc1ccncc1-c1cccnc1-c1c(F)cccc1F
InChIInChI=1S/C21H21F2N3O/c1-24-10-2-3-13-27-19-9-12-25-14-16(19)15-6-5-11-26-21(15)20-17(22)7-4-8-18(20)23/h4-9,11-12,14,24H,2-3,10,13H2,1H3
InChIKeyBQZFQDCIOALHHW-UHFFFAOYSA-N
XLogP4.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-isoquinolin-5-ylphenoxy)-N-methylpropan-1-amine
CID 56717167
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
2-[[4-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxy]-N-methylethanamine
CID 170762375
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
4-butoxy-3-phenylpyridine
CID 91002416
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[4-(methylamino)butoxy]pyrimidin-5-yl]pyridine-2-carboxamide
CID 118416958
6-(2,6-difluorophenyl)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine (CID 174970178) is 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine is CNCCCCOc1ccncc1-c1cccnc1-c1c(F)cccc1F.
What is the InChIKey of 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine?
The InChIKey is BQZFQDCIOALHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-24-10-2-3-13-27-19-9-12-25-14-16(19)15-6-5-11-26-21(15)20-17(22)7-4-8-18(20)23/h4-9,11-12,14,24H,2-3,10,13H2,1H3.
What are the key properties of 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine?
4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine has a molecular weight of 369.42 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(2,6-difluorophenyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-methylbutan-1-amine is sourced from PubChem (CID 174970178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).