N-benzyl-3-bromo-5-chloro-2-ethoxyaniline

C15H15BrClNO — CID 43690745

IUPACN-benzyl-3-bromo-5-chloro-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCc1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-2-19-15-13(16)8-12(17)9-14(15)18-10-11-6-4-3-5-7-11/h3-9,18H,2,10H2,1H3
InChIKeyYPHJNZWDJHSNLA-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.11
Rot. Bonds5

About N-benzyl-3-bromo-5-chloro-2-ethoxyaniline

N-benzyl-3-bromo-5-chloro-2-ethoxyaniline (PubChem CID 43690745) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-benzyl-3-bromo-5-chloro-2-ethoxyaniline.

Molecular Properties

Compound NameN-benzyl-3-bromo-5-chloro-2-ethoxyaniline
PubChem CID43690745
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-benzyl-3-bromo-5-chloro-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCc1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-2-19-15-13(16)8-12(17)9-14(15)18-10-11-6-4-3-5-7-11/h3-9,18H,2,10H2,1H3
InChIKeyYPHJNZWDJHSNLA-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682
3-bromo-5-chloro-N-[(3,5-difluorophenyl)methyl]-2-ethoxyaniline
CID 106528343
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
CID 81268819
3-bromo-5-chloro-2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103818230
3-bromo-5-chloro-2-ethoxy-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 63432667
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
3-bromo-5-chloro-2-ethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169650
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 134042832
3-bromo-5-chloro-2-ethoxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 75512729
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-5-chloro-2-ethoxyaniline?
The IUPAC name of N-benzyl-3-bromo-5-chloro-2-ethoxyaniline (CID 43690745) is N-benzyl-3-bromo-5-chloro-2-ethoxyaniline.
What is the SMILES notation for N-benzyl-3-bromo-5-chloro-2-ethoxyaniline?
The canonical SMILES for N-benzyl-3-bromo-5-chloro-2-ethoxyaniline is CCOc1c(Br)cc(Cl)cc1NCc1ccccc1.
What is the InChIKey of N-benzyl-3-bromo-5-chloro-2-ethoxyaniline?
The InChIKey is YPHJNZWDJHSNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-2-19-15-13(16)8-12(17)9-14(15)18-10-11-6-4-3-5-7-11/h3-9,18H,2,10H2,1H3.
What are the key properties of N-benzyl-3-bromo-5-chloro-2-ethoxyaniline?
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline has a molecular weight of 340.65 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-5-chloro-2-ethoxyaniline is sourced from PubChem (CID 43690745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).