1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

C16H26F2N2 — CID 79093220

IUPAC1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H26F2N2/c1-4-10-19-16(9-11-20(5-2)6-3)13-7-8-14(17)15(18)12-13/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyMZTFZTGVNCGEGX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.74
Rot. Bonds9

About 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (PubChem CID 79093220) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
PubChem CID79093220
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H26F2N2/c1-4-10-19-16(9-11-20(5-2)6-3)13-7-8-14(17)15(18)12-13/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyMZTFZTGVNCGEGX-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-(3,4-difluorophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 62601882
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
1-(3-bromo-2,6-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 106942768
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
N,N-diethyl-3-(4-fluoro-3-methylphenyl)-3-hydrazinylpropan-1-amine
CID 105243974
N-[2-tert-butylsulfanyl-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 65132803
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
methyl 3-(3,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235912

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (CID 79093220) is 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The InChIKey is MZTFZTGVNCGEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-4-10-19-16(9-11-20(5-2)6-3)13-7-8-14(17)15(18)12-13/h7-8,12,16,19H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.74, 9 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',N'-diethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79093220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).