[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine

C15H17FN2O3 — CID 103172064

IUPAC[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
SMILESCOc1ccnc(COc2c(F)cccc2CN)c1OC
InChIInChI=1S/C15H17FN2O3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-17)4-3-5-11(14)16/h3-7H,8-9,17H2,1-2H3
InChIKeyZGQTVKWAUHVDDR-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.28
Rot. Bonds6

About [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine

[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 103172064) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
PubChem CID103172064
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
SMILESCOc1ccnc(COc2c(F)cccc2CN)c1OC
InChIInChI=1S/C15H17FN2O3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-17)4-3-5-11(14)16/h3-7H,8-9,17H2,1-2H3
InChIKeyZGQTVKWAUHVDDR-UHFFFAOYSA-N
XLogP2.28
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
CID 115952034
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine (CID 103172064) is [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine is COc1ccnc(COc2c(F)cccc2CN)c1OC.
What is the InChIKey of [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is ZGQTVKWAUHVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-19-13-6-7-18-12(15(13)20-2)9-21-14-10(8-17)4-3-5-11(14)16/h3-7H,8-9,17H2,1-2H3.
What are the key properties of [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine?
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 292.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 103172064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).