1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C12H18F2N2O — CID 107520054

IUPAC1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O/c1-16(5-6-17-2)8-12(15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyBWRWKDJBMRJLQN-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.54
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 107520054) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID107520054
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O/c1-16(5-6-17-2)8-12(15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyBWRWKDJBMRJLQN-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 107520337
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520677
methyl (2S)-2-(2,5-difluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95258293
N'-(2-methoxyethyl)-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 61427087
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520728

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 107520054) is 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is BWRWKDJBMRJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-16(5-6-17-2)8-12(15)10-7-9(13)3-4-11(10)14/h3-4,7,12H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 244.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).