4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine

C15H17BrN2O2 — CID 65342577

IUPAC4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(CNc2cc(Br)ccc2N)c(OC)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9,17H2,1-2H3
InChIKeyYYVRQJVGGYDGSL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.66
Rot. Bonds5

About 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine

4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 65342577) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID65342577
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(CNc2cc(Br)ccc2N)c(OC)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9,17H2,1-2H3
InChIKeyYYVRQJVGGYDGSL-UHFFFAOYSA-N
XLogP3.66
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
4-bromo-2,3-dichloro-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 107787753
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine (CID 65342577) is 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine is COc1ccc(CNc2cc(Br)ccc2N)c(OC)c1.
What is the InChIKey of 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is YYVRQJVGGYDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine?
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 65342577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).