N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

C21H18F2N2O2 — CID 71086580

IUPACN-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C21H18F2N2O2/c1-13-9-19-20(27-8-7-26-19)10-15(13)14-5-6-21(24-11-14)25-12-16-17(22)3-2-4-18(16)23/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)
InChIKeyRHXJHBCGYPESSM-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.72
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (PubChem CID 71086580) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
PubChem CID71086580
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C21H18F2N2O2/c1-13-9-19-20(27-8-7-26-19)10-15(13)14-5-6-21(24-11-14)25-12-16-17(22)3-2-4-18(16)23/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)
InChIKeyRHXJHBCGYPESSM-UHFFFAOYSA-N
XLogP4.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine with MolForge

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Related Compounds

4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 16749540
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
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 20640412
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-ethyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 20640414
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-phenylpyridin-2-amine
CID 21251047
US10155760, Example 6
CID 118419763
US10155760, Example 2
CID 118420021
US10155760, Example 25
CID 118420413
US10155760, Example 26
CID 118429666
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (CID 71086580) is N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The InChIKey is RHXJHBCGYPESSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-9-19-20(27-8-7-26-19)10-15(13)14-5-6-21(24-11-14)25-12-16-17(22)3-2-4-18(16)23/h2-6,9-11H,7-8,12H2,1H3,(H,24,25).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine has a molecular weight of 368.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is sourced from PubChem (CID 71086580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).