4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine

C11H15BrF2N2 — CID 102868983

IUPAC4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C(F)F
InChIInChI=1S/C11H15BrF2N2/c1-7(11(13)14)15-9-6-8(12)4-5-10(9)16(2)3/h4-7,11,15H,1-3H3
InChIKeyBMZLZACVIAJZKL-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.58
Rot. Bonds4

About 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 102868983) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID102868983
Molecular FormulaC11H15BrF2N2
Molecular Weight293.16 g/mol
Exact Mass292.04
IUPAC Name4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C(F)F
InChIInChI=1S/C11H15BrF2N2/c1-7(11(13)14)15-9-6-8(12)4-5-10(9)16(2)3/h4-7,11,15H,1-3H3
InChIKeyBMZLZACVIAJZKL-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
4-bromo-2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 107797548
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
4-bromo-2-N-(2,2-dimethoxyethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 63696353
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 102868983) is 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Br)ccc1N(C)C)C(F)F.
What is the InChIKey of 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is BMZLZACVIAJZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c1-7(11(13)14)15-9-6-8(12)4-5-10(9)16(2)3/h4-7,11,15H,1-3H3.
What are the key properties of 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 293.16 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 102868983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).