N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine

C19H21F3N2O — CID 174271631

IUPACN-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine
SMILESCC(C)c1ccc(Oc2ccnc(N(C)C3CC(F)(F)C3)c2)cc1F
InChIInChI=1S/C19H21F3N2O/c1-12(2)16-5-4-14(8-17(16)20)25-15-6-7-23-18(9-15)24(3)13-10-19(21,22)11-13/h4-9,12-13H,10-11H2,1-3H3
InChIKeyAMAYJFAQJLAPRP-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.37
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine

N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine (PubChem CID 174271631) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine
PubChem CID174271631
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine
SMILESCC(C)c1ccc(Oc2ccnc(N(C)C3CC(F)(F)C3)c2)cc1F
InChIInChI=1S/C19H21F3N2O/c1-12(2)16-5-4-14(8-17(16)20)25-15-6-7-23-18(9-15)24(3)13-10-19(21,22)11-13/h4-9,12-13H,10-11H2,1-3H3
InChIKeyAMAYJFAQJLAPRP-UHFFFAOYSA-N
XLogP5.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene
CID 177076510
3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
CID 83381571
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
CID 170746872
[4-[2-(4-fluoro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-(1-propan-2-ylazetidin-3-yl)carbamic acid
CID 69291013
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 145392722
1,2,3-trifluoro-5-(3-methoxy-4-propan-2-ylphenoxy)benzene
CID 177076526
2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol
CID 131855914
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
CID 61255965
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
2-[methyl-(4-phenoxy-2-pyridinyl)amino]ethanol
CID 11230289
1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391129
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine?
The IUPAC name of N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine (CID 174271631) is N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine is CC(C)c1ccc(Oc2ccnc(N(C)C3CC(F)(F)C3)c2)cc1F.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine?
The InChIKey is AMAYJFAQJLAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-12(2)16-5-4-14(8-17(16)20)25-15-6-7-23-18(9-15)24(3)13-10-19(21,22)11-13/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine?
N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine has a molecular weight of 350.38 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine is sourced from PubChem (CID 174271631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).