1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C14H22F2N2 — CID 79087903

IUPAC1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-4-18(5-2)10-9-13(17-3)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyKKADBBZEBGBIOK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.96
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 79087903) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID79087903
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-4-18(5-2)10-9-13(17-3)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyKKADBBZEBGBIOK-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
1-(2,6-difluorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129194
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62644533
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
CID 114931570
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236427
1-(3-bromo-2,6-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 106942768
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 79087903) is 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is KKADBBZEBGBIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-18(5-2)10-9-13(17-3)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79087903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).