1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C13H21FN2 — CID 115346261

IUPAC1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C13H21FN2/c1-10-7-11(9-12(14)8-10)13(15-2)5-6-16(3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyZHXJURYJSVCSQA-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.35
Rot. Bonds5

About 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346261) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346261
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C13H21FN2/c1-10-7-11(9-12(14)8-10)13(15-2)5-6-16(3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyZHXJURYJSVCSQA-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346441
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 103547010
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346261) is 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is ZHXJURYJSVCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10-7-11(9-12(14)8-10)13(15-2)5-6-16(3)4/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).