1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

C13H19F2NO — CID 79197452

IUPAC1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H19F2NO/c1-5-16-12(13(2,3)17-4)9-6-7-10(14)11(15)8-9/h6-8,12,16H,5H2,1-4H3
InChIKeyIIMDLLWILKMDAD-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (PubChem CID 79197452) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
PubChem CID79197452
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H19F2NO/c1-5-16-12(13(2,3)17-4)9-6-7-10(14)11(15)8-9/h6-8,12,16H,5H2,1-4H3
InChIKeyIIMDLLWILKMDAD-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(6-chloro-2,3-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114275195
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
N-ethyl-2-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 79198385
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (CID 79197452) is 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is CCNC(c1ccc(F)c(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The InChIKey is IIMDLLWILKMDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-5-16-12(13(2,3)17-4)9-6-7-10(14)11(15)8-9/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 5 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-ethyl-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79197452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).