1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C14H22F2N2 — CID 79086657

IUPAC1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2/c1-4-18(5-2)7-6-14(17-3)11-8-12(15)10-13(16)9-11/h8-10,14,17H,4-7H2,1-3H3
InChIKeyNMSCPGWIYLKNJF-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.96
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 79086657) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID79086657
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2/c1-4-18(5-2)7-6-14(17-3)11-8-12(15)10-13(16)9-11/h8-10,14,17H,4-7H2,1-3H3
InChIKeyNMSCPGWIYLKNJF-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

2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087903
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
CID 105141977
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
N,N-diethyl-3-(5-fluoro-3-pyridinyl)-3-hydrazinylpropan-1-amine
CID 105244160
1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105142044

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 79086657) is 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is NMSCPGWIYLKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-18(5-2)7-6-14(17-3)11-8-12(15)10-13(16)9-11/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(3,5-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-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).