5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine

C20H15F3N2O2 — CID 71105454

IUPAC5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H15F3N2O2/c1-12-8-17-18(27-20(22,23)26-17)9-15(12)13-6-7-19(24-10-13)25-11-14-4-2-3-5-16(14)21/h2-10H,11H2,1H3,(H,24,25)
InChIKeyWUNPDOLKYDVBIY-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.13
Rot. Bonds4

About 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine

5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 71105454) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
PubChem CID71105454
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H15F3N2O2/c1-12-8-17-18(27-20(22,23)26-17)9-15(12)13-6-7-19(24-10-13)25-11-14-4-2-3-5-16(14)21/h2-10H,11H2,1H3,(H,24,25)
InChIKeyWUNPDOLKYDVBIY-UHFFFAOYSA-N
XLogP5.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-(2-phenylpropan-2-yl)pyridin-2-amine
CID 9850277
6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 4781445
2-[2-(3,4-Dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 8900952
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 844451
N-benzyl-5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-amine
CID 21251062
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 44377348
8-(Benzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 44478659
8-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 44478660
4-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46926516
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-methoxy-6-pyridin-3-ylpyrimidin-4-amine
CID 53324509

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine (CID 71105454) is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine is Cc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)OC(F)(F)O2.
What is the InChIKey of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is WUNPDOLKYDVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-12-8-17-18(27-20(22,23)26-17)9-15(12)13-6-7-19(24-10-13)25-11-14-4-2-3-5-16(14)21/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 372.35 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71105454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).