2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

C14H23FN2O — CID 115132903

IUPAC2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCCc1cc(F)ccc1OC
InChIInChI=1S/C14H23FN2O/c1-14(2,10-16-3)17-8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9,16-17H,7-8,10H2,1-4H3
InChIKeyZVJSQUAWTOSOEA-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.96
Rot. Bonds7

About 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132903) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132903
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCCc1cc(F)ccc1OC
InChIInChI=1S/C14H23FN2O/c1-14(2,10-16-3)17-8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9,16-17H,7-8,10H2,1-4H3
InChIKeyZVJSQUAWTOSOEA-UHFFFAOYSA-N
XLogP1.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132903) is 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCCc1cc(F)ccc1OC.
What is the InChIKey of 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is ZVJSQUAWTOSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(2,10-16-3)17-8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9,16-17H,7-8,10H2,1-4H3.
What are the key properties of 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).