1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine

C12H18F2N2 — CID 79093891

IUPAC1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-4-15-12(8-16(2)3)10-6-5-9(13)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3
InChIKeyTUODMZYIYYGSNG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.18
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine

1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 79093891) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
PubChem CID79093891
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-4-15-12(8-16(2)3)10-6-5-9(13)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3
InChIKeyTUODMZYIYYGSNG-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104738490
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine (CID 79093891) is 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is TUODMZYIYYGSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-4-15-12(8-16(2)3)10-6-5-9(13)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79093891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).