4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline

C13H10BrCl2N — CID 65315845

IUPAC4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
SMILESClc1ccc(Cl)c(CNc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2
InChIKeyCVUQFNIZPSBZGJ-UHFFFAOYSA-N
MW331.04 g/mol
LogP5.37
Rot. Bonds3

About 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline

4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline (PubChem CID 65315845) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
PubChem CID65315845
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
SMILESClc1ccc(Cl)c(CNc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2
InChIKeyCVUQFNIZPSBZGJ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.04
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
4-bromo-N-[(2,5-dichlorophenyl)methyl]-3-iodoaniline
CID 114259513
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 103696962
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline?
The IUPAC name of 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline (CID 65315845) is 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline?
The canonical SMILES for 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline is Clc1ccc(Cl)c(CNc2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline?
The InChIKey is CVUQFNIZPSBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2.
What are the key properties of 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline?
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline has a molecular weight of 331.04 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 65315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).