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

C15H15Br2NO — CID 43683196

IUPAC2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H15Br2NO/c1-10(11-4-3-5-13(8-11)19-2)18-15-7-6-12(16)9-14(15)17/h3-10,18H,1-2H3
InChIKeyNMKIMMABZQCZNV-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.39
Rot. Bonds4

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

2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 43683196) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID43683196
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H15Br2NO/c1-10(11-4-3-5-13(8-11)19-2)18-15-7-6-12(16)9-14(15)17/h3-10,18H,1-2H3
InChIKeyNMKIMMABZQCZNV-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

2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-[1-(2,4-dibromoanilino)ethyl]-5-methoxyphenol
CID 43683000
2,4-dibromo-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226882
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 57475519
2,4-dibromo-N-[1-(4-tert-butylphenyl)ethyl]aniline
CID 63427633
6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
CID 77191902
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 43683196) is 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline is COc1cccc(C(C)Nc2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is NMKIMMABZQCZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(11-4-3-5-13(8-11)19-2)18-15-7-6-12(16)9-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline?
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline 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 2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).