1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C13H21FN2O — CID 82769952

IUPAC1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-15-12(7-8-16(2)3)11-9-10(14)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyGINDPPLTYLVORJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.05
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 82769952) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID82769952
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-15-12(7-8-16(2)3)11-9-10(14)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyGINDPPLTYLVORJ-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 82770289
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 82769952) is 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is GINDPPLTYLVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-15-12(7-8-16(2)3)11-9-10(14)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 82769952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).