2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline

C11H12BrCl2N — CID 106438063

IUPAC2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
SMILESC/C(=C/Cl)CNc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H12BrCl2N/c1-7(5-13)6-15-11-4-10(14)8(2)3-9(11)12/h3-5,15H,6H2,1-2H3/b7-5-
InChIKeyKCUSTEOXJKEVKP-ALCCZGGFSA-N
MW309.03 g/mol
LogP4.97
Rot. Bonds3

About 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline

2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline (PubChem CID 106438063) has the molecular formula C11H12BrCl2N and a molecular weight of 309.03 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
PubChem CID106438063
Molecular FormulaC11H12BrCl2N
Molecular Weight309.03 g/mol
Exact Mass306.95
IUPAC Name2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
SMILESC/C(=C/Cl)CNc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H12BrCl2N/c1-7(5-13)6-15-11-4-10(14)8(2)3-9(11)12/h3-5,15H,6H2,1-2H3/b7-5-
InChIKeyKCUSTEOXJKEVKP-ALCCZGGFSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.03
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
CID 106437287
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
CID 104723467
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
1-(2-bromo-5-chloro-4-methylanilino)-3-ethoxypropan-2-ol
CID 113445450
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
2-bromo-5-chloro-4-methyl-N-(2-propoxyethyl)aniline
CID 106452481
2-bromo-5-chloro-4-methyl-N-pent-4-ynylaniline
CID 104723520

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline (CID 106438063) is 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline is C/C(=C/Cl)CNc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The InChIKey is KCUSTEOXJKEVKP-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H12BrCl2N/c1-7(5-13)6-15-11-4-10(14)8(2)3-9(11)12/h3-5,15H,6H2,1-2H3/b7-5-.
What are the key properties of 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline has a molecular weight of 309.03 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline is sourced from PubChem (CID 106438063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).