1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

C11H17FN2 — CID 116948511

IUPAC1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-13-8-7-11(14-2)9-3-5-10(12)6-4-9/h3-6,11,13-14H,7-8H2,1-2H3
InChIKeyXDFZYKVTDWTGRZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.70
Rot. Bonds5

About 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116948511) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID116948511
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-13-8-7-11(14-2)9-3-5-10(12)6-4-9/h3-6,11,13-14H,7-8H2,1-2H3
InChIKeyXDFZYKVTDWTGRZ-UHFFFAOYSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (CID 116948511) is 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is CNCCC(NC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is XDFZYKVTDWTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-8-7-11(14-2)9-3-5-10(12)6-4-9/h3-6,11,13-14H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).