2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline

C15H13Br3ClNO — CID 81268819

IUPAC2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(CNc2cc(Cl)ccc2Br)cc1Br
InChIInChI=1S/C15H13Br3ClNO/c1-2-21-15-12(17)5-9(6-13(15)18)8-20-14-7-10(19)3-4-11(14)16/h3-7,20H,2,8H2,1H3
InChIKeyGLWPRKWODMLAFM-UHFFFAOYSA-N
MW498.44 g/mol
LogP6.64
Rot. Bonds5

About 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline

2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline (PubChem CID 81268819) has the molecular formula C15H13Br3ClNO and a molecular weight of 498.44 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
PubChem CID81268819
Molecular FormulaC15H13Br3ClNO
Molecular Weight498.44 g/mol
Exact Mass494.82
IUPAC Name2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(CNc2cc(Cl)ccc2Br)cc1Br
InChIInChI=1S/C15H13Br3ClNO/c1-2-21-15-12(17)5-9(6-13(15)18)8-20-14-7-10(19)3-4-11(14)16/h3-7,20H,2,8H2,1H3
InChIKeyGLWPRKWODMLAFM-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

N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
3-bromo-5-chloro-N-[(3,5-difluorophenyl)methyl]-2-ethoxyaniline
CID 106528343
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-fluoroaniline
CID 43773972
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-iodoaniline
CID 63445412
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 5217655
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097
4-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-fluoroaniline
CID 43786135
5-chloro-N-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126120798
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-ethylaniline
CID 43764278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline (CID 81268819) is 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline is CCOc1c(Br)cc(CNc2cc(Cl)ccc2Br)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline?
The InChIKey is GLWPRKWODMLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3ClNO/c1-2-21-15-12(17)5-9(6-13(15)18)8-20-14-7-10(19)3-4-11(14)16/h3-7,20H,2,8H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline?
2-bromo-5-chloro-N-[(3,5-dibromo-4-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 2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline is sourced from PubChem (CID 81268819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).