N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C14H23BrN2O2 — CID 782161

IUPACN'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc(Br)c(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H23BrN2O2/c1-16(2)6-7-17(3)10-11-8-13(18-4)14(19-5)9-12(11)15/h8-9H,6-7,10H2,1-5H3
InChIKeyMFVHGHIWOMQVLD-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.46
Rot. Bonds7

About N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 782161) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID782161
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC NameN'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc(Br)c(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H23BrN2O2/c1-16(2)6-7-17(3)10-11-8-13(18-4)14(19-5)9-12(11)15/h8-9H,6-7,10H2,1-5H3
InChIKeyMFVHGHIWOMQVLD-UHFFFAOYSA-N
XLogP2.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 782161) is N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is COc1cc(Br)c(CN(C)CCN(C)C)cc1OC.
What is the InChIKey of N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is MFVHGHIWOMQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-16(2)6-7-17(3)10-11-8-13(18-4)14(19-5)9-12(11)15/h8-9H,6-7,10H2,1-5H3.
What are the key properties of N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 331.25 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 782161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).