2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline

C15H14Br3NO — CID 43126327

IUPAC2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br3NO/c1-9(10-4-3-5-12(6-10)20-2)19-15-13(17)7-11(16)8-14(15)18/h3-9,19H,1-2H3
InChIKeyIOHVXNULDFVCTM-UHFFFAOYSA-N
MW464.00 g/mol
LogP6.16
Rot. Bonds4

About 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline

2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 43126327) has the molecular formula C15H14Br3NO and a molecular weight of 464.00 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID43126327
Molecular FormulaC15H14Br3NO
Molecular Weight464.00 g/mol
Exact Mass460.86
IUPAC Name2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br3NO/c1-9(10-4-3-5-12(6-10)20-2)19-15-13(17)7-11(16)8-14(15)18/h3-9,19H,1-2H3
InChIKeyIOHVXNULDFVCTM-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43773626
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
CID 82857287
N-[1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547315
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 57475519
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 43126327) is 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline is COc1cccc(C(C)Nc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is IOHVXNULDFVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO/c1-9(10-4-3-5-12(6-10)20-2)19-15-13(17)7-11(16)8-14(15)18/h3-9,19H,1-2H3.
What are the key properties of 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 464.00 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43126327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).