1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine

C15H24F2N2 — CID 79087248

IUPAC1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2/c1-4-18-15(9-10-19(5-2)6-3)13-8-7-12(16)11-14(13)17/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyZJJHVKBOGAPNID-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.35
Rot. Bonds8

About 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine

1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 79087248) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID79087248
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2/c1-4-18-15(9-10-19(5-2)6-3)13-8-7-12(16)11-14(13)17/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyZJJHVKBOGAPNID-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 79087248) is 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is ZJJHVKBOGAPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-4-18-15(9-10-19(5-2)6-3)13-8-7-12(16)11-14(13)17/h7-8,11,15,18H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.35, 8 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,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 79087248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).