2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine

C14H22BrN3O2 — CID 75467083

IUPAC2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1cc(Br)c(CN=C(N(C)C)N(C)C)cc1OC
InChIInChI=1S/C14H22BrN3O2/c1-17(2)14(18(3)4)16-9-10-7-12(19-5)13(20-6)8-11(10)15/h7-8H,9H2,1-6H3
InChIKeyFEYXAVBEAPHNTC-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.45
Rot. Bonds4

About 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine

2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 75467083) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID75467083
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1cc(Br)c(CN=C(N(C)C)N(C)C)cc1OC
InChIInChI=1S/C14H22BrN3O2/c1-17(2)14(18(3)4)16-9-10-7-12(19-5)13(20-6)8-11(10)15/h7-8H,9H2,1-6H3
InChIKeyFEYXAVBEAPHNTC-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111098917
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111098959
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-butyl-3-ethylguanidine
CID 111149776
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 110930620
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002364
[2-(dimethylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921159
3-[[N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111941736
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423730
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384971
2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111095427

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine (CID 75467083) is 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine is COc1cc(Br)c(CN=C(N(C)C)N(C)C)cc1OC.
What is the InChIKey of 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is FEYXAVBEAPHNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-17(2)14(18(3)4)16-9-10-7-12(19-5)13(20-6)8-11(10)15/h7-8H,9H2,1-6H3.
What are the key properties of 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine?
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 344.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 75467083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).