(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium

C16H19BrNO2+ — CID 3648787

IUPAC(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-19-15-8-5-13(16(9-15)20-2)11-18-10-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3/p+1
InChIKeyZQBKESGZBXTSNW-UHFFFAOYSA-O
MW337.24 g/mol
LogP2.73
Rot. Bonds6

About (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium

(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium (PubChem CID 3648787) has the molecular formula C16H19BrNO2+ and a molecular weight of 337.24 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
PubChem CID3648787
Molecular FormulaC16H19BrNO2+
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-19-15-8-5-13(16(9-15)20-2)11-18-10-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3/p+1
InChIKeyZQBKESGZBXTSNW-UHFFFAOYSA-O
XLogP2.73
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide
CID 170623503
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
1-[(4-bromophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111875730
(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
CID 2063765
2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate
CID 55368218
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium?
The IUPAC name of (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium (CID 3648787) is (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium.
What is the SMILES notation for (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium?
The canonical SMILES for (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium?
The InChIKey is ZQBKESGZBXTSNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18BrNO2/c1-19-15-8-5-13(16(9-15)20-2)11-18-10-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3/p+1.
What are the key properties of (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium?
(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium has a molecular weight of 337.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 3648787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).