1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine

C13H20F2N2O — CID 116949070

IUPAC1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1cc(F)c(OC)cc1F)C(C)(C)CN
InChIInChI=1S/C13H20F2N2O/c1-13(2,7-16)12(17-3)8-5-10(15)11(18-4)6-9(8)14/h5-6,12,17H,7,16H2,1-4H3
InChIKeyFZZKFFUFKHSRQX-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.22
Rot. Bonds5

About 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine

1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine (PubChem CID 116949070) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
PubChem CID116949070
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1cc(F)c(OC)cc1F)C(C)(C)CN
InChIInChI=1S/C13H20F2N2O/c1-13(2,7-16)12(17-3)8-5-10(15)11(18-4)6-9(8)14/h5-6,12,17H,7,16H2,1-4H3
InChIKeyFZZKFFUFKHSRQX-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(5-bromo-2-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949009
2-(2,5-difluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 116961673
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131971
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
N-(chloromethyl)-2,5-difluoro-4-methoxyaniline
CID 115262759
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849719
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
CID 116964440

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine (CID 116949070) is 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine is CNC(c1cc(F)c(OC)cc1F)C(C)(C)CN.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The InChIKey is FZZKFFUFKHSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-13(2,7-16)12(17-3)8-5-10(15)11(18-4)6-9(8)14/h5-6,12,17H,7,16H2,1-4H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine?
1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine has a molecular weight of 258.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116949070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).