2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline

C14H13Cl2FN2O2 — CID 103172686

IUPAC2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
SMILESCOc1ccnc(CNc2c(Cl)cc(F)cc2Cl)c1OC
InChIInChI=1S/C14H13Cl2FN2O2/c1-20-12-3-4-18-11(14(12)21-2)7-19-13-9(15)5-8(17)6-10(13)16/h3-6,19H,7H2,1-2H3
InChIKeyWBUHJOXLKPYBQO-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.16
Rot. Bonds5

About 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline

2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline (PubChem CID 103172686) has the molecular formula C14H13Cl2FN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
PubChem CID103172686
Molecular FormulaC14H13Cl2FN2O2
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
SMILESCOc1ccnc(CNc2c(Cl)cc(F)cc2Cl)c1OC
InChIInChI=1S/C14H13Cl2FN2O2/c1-20-12-3-4-18-11(14(12)21-2)7-19-13-9(15)5-8(17)6-10(13)16/h3-6,19H,7H2,1-2H3
InChIKeyWBUHJOXLKPYBQO-UHFFFAOYSA-N
XLogP4.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
CID 103172675
2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103478939
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
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline (CID 103172686) is 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline is COc1ccnc(CNc2c(Cl)cc(F)cc2Cl)c1OC.
What is the InChIKey of 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline?
The InChIKey is WBUHJOXLKPYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2/c1-20-12-3-4-18-11(14(12)21-2)7-19-13-9(15)5-8(17)6-10(13)16/h3-6,19H,7H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline?
2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline has a molecular weight of 331.17 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 103172686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).