2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C16H17Br2N — CID 43736793

IUPAC2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Br)ccc2Br)c(C)c1
InChIInChI=1S/C16H17Br2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3
InChIKeyUBAFUQAQLIPRAX-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.00
Rot. Bonds3

About 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline

2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 43736793) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID43736793
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Br)ccc2Br)c(C)c1
InChIInChI=1S/C16H17Br2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3
InChIKeyUBAFUQAQLIPRAX-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 63425514
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 107597666
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
CID 43736721
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 43736793) is 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2cc(Br)ccc2Br)c(C)c1.
What is the InChIKey of 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is UBAFUQAQLIPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-4-6-14(11(2)8-10)12(3)19-16-9-13(17)5-7-15(16)18/h4-9,12,19H,1-3H3.
What are the key properties of 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 383.13 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43736793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).