4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline

C17H20BrNO3 — CID 101056079

IUPAC4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(Nc2cc(C)c(Br)cc2C)cc(OC)c1OC
InChIInChI=1S/C17H20BrNO3/c1-10-7-14(11(2)6-13(10)18)19-12-8-15(20-3)17(22-5)16(9-12)21-4/h6-9,19H,1-5H3
InChIKeyKVODERATCYKSER-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.84
Rot. Bonds5

About 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline

4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline (PubChem CID 101056079) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
PubChem CID101056079
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Name4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(Nc2cc(C)c(Br)cc2C)cc(OC)c1OC
InChIInChI=1S/C17H20BrNO3/c1-10-7-14(11(2)6-13(10)18)19-12-8-15(20-3)17(22-5)16(9-12)21-4/h6-9,19H,1-5H3
InChIKeyKVODERATCYKSER-UHFFFAOYSA-N
XLogP4.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 171920030
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920024
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
2-N-(4-bromo-3,5-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 107571437
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The IUPAC name of 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline (CID 101056079) is 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline is COc1cc(Nc2cc(C)c(Br)cc2C)cc(OC)c1OC.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
The InChIKey is KVODERATCYKSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c1-10-7-14(11(2)6-13(10)18)19-12-8-15(20-3)17(22-5)16(9-12)21-4/h6-9,19H,1-5H3.
What are the key properties of 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline?
4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline has a molecular weight of 366.26 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline is sourced from PubChem (CID 101056079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).