N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline

C15H17FN2O2 — CID 103172567

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
SMILESCOc1ccnc(CNc2cc(C)cc(F)c2)c1OC
InChIInChI=1S/C15H17FN2O2/c1-10-6-11(16)8-12(7-10)18-9-13-15(20-3)14(19-2)4-5-17-13/h4-8,18H,9H2,1-3H3
InChIKeyGDWDAUQZLCZYBD-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.16
Rot. Bonds5

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline (PubChem CID 103172567) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
PubChem CID103172567
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
SMILESCOc1ccnc(CNc2cc(C)cc(F)c2)c1OC
InChIInChI=1S/C15H17FN2O2/c1-10-6-11(16)8-12(7-10)18-9-13-15(20-3)14(19-2)4-5-17-13/h4-8,18H,9H2,1-3H3
InChIKeyGDWDAUQZLCZYBD-UHFFFAOYSA-N
XLogP3.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.16
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]aniline
CID 103172115
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
CID 103172675
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]-1-(4-methylphenyl)methanamine
CID 103172192
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198744

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline (CID 103172567) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline is COc1ccnc(CNc2cc(C)cc(F)c2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is GDWDAUQZLCZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-6-11(16)8-12(7-10)18-9-13-15(20-3)14(19-2)4-5-17-13/h4-8,18H,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 276.31 g/mol, XLogP of 3.16, 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]-3-fluoro-5-methylaniline is sourced from PubChem (CID 103172567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).