2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline

C15H15Br2NO — CID 103412044

IUPAC2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccc2)c(Br)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10(11-6-4-3-5-7-11)18-14-9-15(19-2)13(17)8-12(14)16/h3-10,18H,1-2H3
InChIKeyNHDQRDWHAASLPM-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.39
Rot. Bonds4

About 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline

2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline (PubChem CID 103412044) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
PubChem CID103412044
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccc2)c(Br)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10(11-6-4-3-5-7-11)18-14-9-15(19-2)13(17)8-12(14)16/h3-10,18H,1-2H3
InChIKeyNHDQRDWHAASLPM-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-dibromo-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxyaniline
CID 103411093
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
2,4-dibromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-5-methoxyaniline
CID 103411845
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
2-[1-(2,4-dibromo-5-methoxyanilino)ethyl]-4-methylphenol
CID 103411618
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
2,4-dibromo-5-methoxy-N-pentan-3-ylaniline
CID 103411897
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43787276
2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103411305
N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
CID 19170146
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline (CID 103412044) is 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline is COc1cc(NC(C)c2ccccc2)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline?
The InChIKey is NHDQRDWHAASLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(11-6-4-3-5-7-11)18-14-9-15(19-2)13(17)8-12(14)16/h3-10,18H,1-2H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline?
2,4-dibromo-5-methoxy-N-(1-phenylethyl)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-5-methoxy-N-(1-phenylethyl)aniline is sourced from PubChem (CID 103412044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).