1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C14H14F2N2 — CID 82536794

IUPAC1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cc(F)ccc2F)c1
InChIInChI=1S/C14H14F2N2/c1-18(2)12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,1-2H3
InChIKeyHFRYVQMHTLHSBK-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.77
Rot. Bonds3

About 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 82536794) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID82536794
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2cc(F)ccc2F)c1
InChIInChI=1S/C14H14F2N2/c1-18(2)12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,1-2H3
InChIKeyHFRYVQMHTLHSBK-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-N-[3-(dimethylamino)phenyl]-5-fluorobenzene-1,2-diamine
CID 115376157
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 82536794) is 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(Nc2cc(F)ccc2F)c1.
What is the InChIKey of 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is HFRYVQMHTLHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-18(2)12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,1-2H3.
What are the key properties of 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 82536794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).