N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline

C15H16F2N2O2 — CID 103172675

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccnc(CNc2c(F)ccc(C)c2F)c1OC
InChIInChI=1S/C15H16F2N2O2/c1-9-4-5-10(16)14(13(9)17)19-8-11-15(21-3)12(20-2)6-7-18-11/h4-7,19H,8H2,1-3H3
InChIKeyXDLIMOOQZZUSDE-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.30
Rot. Bonds5

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 103172675) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID103172675
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCOc1ccnc(CNc2c(F)ccc(C)c2F)c1OC
InChIInChI=1S/C15H16F2N2O2/c1-9-4-5-10(16)14(13(9)17)19-8-11-15(21-3)12(20-2)6-7-18-11/h4-7,19H,8H2,1-3H3
InChIKeyXDLIMOOQZZUSDE-UHFFFAOYSA-N
XLogP3.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
CID 103172686
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline (CID 103172675) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline is COc1ccnc(CNc2c(F)ccc(C)c2F)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is XDLIMOOQZZUSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-9-4-5-10(16)14(13(9)17)19-8-11-15(21-3)12(20-2)6-7-18-11/h4-7,19H,8H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 294.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 103172675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).