1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C13H19F2NO — CID 105145538

IUPAC1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-13(2,3)17-8-12(16-4)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyNIOVNPSURUAWBF-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105145538) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105145538
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-13(2,3)17-8-12(16-4)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyNIOVNPSURUAWBF-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
4-(3,4-difluorophenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953732
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105145538) is 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CNC(COC(C)(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is NIOVNPSURUAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,3)17-8-12(16-4)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105145538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).