4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine

C12H19FN2 — CID 63981611

IUPAC4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCC(C)(C)N(C)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2/c1-5-12(2,3)15(4)11-7-6-9(13)8-10(11)14/h6-8H,5,14H2,1-4H3
InChIKeyMPXKBQPUAVBRNR-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.03
Rot. Bonds3

About 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine

4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine (PubChem CID 63981611) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
PubChem CID63981611
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCC(C)(C)N(C)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2/c1-5-12(2,3)15(4)11-7-6-9(13)8-10(11)14/h6-8H,5,14H2,1-4H3
InChIKeyMPXKBQPUAVBRNR-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124740
4-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63982027
[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
CID 63964637
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
CID 63982799
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63981395
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
4-amino-3-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 104711992
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine (CID 63981611) is 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine is CCC(C)(C)N(C)c1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The InChIKey is MPXKBQPUAVBRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-5-12(2,3)15(4)11-7-6-9(13)8-10(11)14/h6-8H,5,14H2,1-4H3.
What are the key properties of 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63981611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).