3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine

C10H14F2N2 — CID 62533650

IUPAC3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(C)c1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-6(2)14(3)10-8(13)5-4-7(11)9(10)12/h4-6H,13H2,1-3H3
InChIKeyKSGAYXYBBCJRMS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.39
Rot. Bonds2

About 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine

3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine (PubChem CID 62533650) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
PubChem CID62533650
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(C)c1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-6(2)14(3)10-8(13)5-4-7(11)9(10)12/h4-6H,13H2,1-3H3
InChIKeyKSGAYXYBBCJRMS-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-amino-2,3-difluoro-N-propan-2-ylanilino)propanenitrile
CID 62532854
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 62531948
3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 62531981
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871
2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 55086413
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
CID 62533529
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine (CID 62533650) is 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine is CC(C)N(C)c1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine?
The InChIKey is KSGAYXYBBCJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6(2)14(3)10-8(13)5-4-7(11)9(10)12/h4-6H,13H2,1-3H3.
What are the key properties of 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine?
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 62533650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).