3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline

C15H15Br2NO — CID 82858148

IUPAC3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15Br2NO/c1-10(11-3-5-12(16)6-4-11)18-14-7-13(17)8-15(9-14)19-2/h3-10,18H,1-2H3
InChIKeyRMRDPDJJLWHBHZ-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.39
Rot. Bonds4

About 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline

3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline (PubChem CID 82858148) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
PubChem CID82858148
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15Br2NO/c1-10(11-3-5-12(16)6-4-11)18-14-7-13(17)8-15(9-14)19-2/h3-10,18H,1-2H3
InChIKeyRMRDPDJJLWHBHZ-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857288
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
3-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-methoxyaniline
CID 82860544
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
CID 82857287
3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
3-bromo-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82858085
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline?
The IUPAC name of 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline (CID 82858148) is 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline is COc1cc(Br)cc(NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline?
The InChIKey is RMRDPDJJLWHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(11-3-5-12(16)6-4-11)18-14-7-13(17)8-15(9-14)19-2/h3-10,18H,1-2H3.
What are the key properties of 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline?
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline has a molecular weight of 385.10 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline is sourced from PubChem (CID 82858148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).