2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine

C13H20FNO3 — CID 65304742

IUPAC2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(OC)c(OC)cc1F
InChIInChI=1S/C13H20FNO3/c1-15-5-7-18-6-4-10-8-12(16-2)13(17-3)9-11(10)14/h8-9,15H,4-7H2,1-3H3
InChIKeySQPRKMFKNVIQMM-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.62
Rot. Bonds8

About 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine

2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine (PubChem CID 65304742) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
PubChem CID65304742
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(OC)c(OC)cc1F
InChIInChI=1S/C13H20FNO3/c1-15-5-7-18-6-4-10-8-12(16-2)13(17-3)9-11(10)14/h8-9,15H,4-7H2,1-3H3
InChIKeySQPRKMFKNVIQMM-UHFFFAOYSA-N
XLogP1.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
CID 107477800
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
CID 65302814
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
CID 65303071
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]-N-methylethanamine
CID 83068822
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane
CID 156754219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine (CID 65304742) is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine is CNCCOCCc1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine?
The InChIKey is SQPRKMFKNVIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-15-5-7-18-6-4-10-8-12(16-2)13(17-3)9-11(10)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine?
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine has a molecular weight of 257.30 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 65304742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).