1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine

C12H19FN2 — CID 62644803

IUPAC1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-14-12(7-8-15(2)3)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3
InChIKeyKEMRGVFCAYONNW-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 62644803) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID62644803
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-14-12(7-8-15(2)3)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3
InChIKeyKEMRGVFCAYONNW-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
CID 104554627
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(3-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493726
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 62644803) is 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is KEMRGVFCAYONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-14-12(7-8-15(2)3)10-5-4-6-11(13)9-10/h4-6,9,12,14H,7-8H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62644803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).