5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline

C15H13Br3ClNO — CID 63477755

IUPAC5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(Br)cc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C15H13Br3ClNO/c1-2-21-15-9(5-11(17)6-12(15)18)8-20-14-7-10(16)3-4-13(14)19/h3-7,20H,2,8H2,1H3
InChIKeyGONVEMPGEMWUIK-UHFFFAOYSA-N
MW498.44 g/mol
LogP6.64
Rot. Bonds5

About 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline

5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline (PubChem CID 63477755) has the molecular formula C15H13Br3ClNO and a molecular weight of 498.44 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
PubChem CID63477755
Molecular FormulaC15H13Br3ClNO
Molecular Weight498.44 g/mol
Exact Mass494.82
IUPAC Name5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(Br)cc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C15H13Br3ClNO/c1-2-21-15-9(5-11(17)6-12(15)18)8-20-14-7-10(16)3-4-13(14)19/h3-7,20H,2,8H2,1H3
InChIKeyGONVEMPGEMWUIK-UHFFFAOYSA-N
XLogP6.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
CID 107584894
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline (CID 63477755) is 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline is CCOc1c(Br)cc(Br)cc1CNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The InChIKey is GONVEMPGEMWUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3ClNO/c1-2-21-15-9(5-11(17)6-12(15)18)8-20-14-7-10(16)3-4-13(14)19/h3-7,20H,2,8H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline has a molecular weight of 498.44 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline is sourced from PubChem (CID 63477755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).