1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine

C12H18Br2N4O2 — CID 103417257

IUPAC1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H18Br2N4O2/c1-7(6-19-2)16-12(18-15)17-10-5-11(20-3)9(14)4-8(10)13/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18)
InChIKeyURUWHCYPDYLEGC-UHFFFAOYSA-N
MW410.11 g/mol
LogP2.49
Rot. Bonds5

About 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine

1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 103417257) has the molecular formula C12H18Br2N4O2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
PubChem CID103417257
Molecular FormulaC12H18Br2N4O2
Molecular Weight410.11 g/mol
Exact Mass407.98
IUPAC Name1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H18Br2N4O2/c1-7(6-19-2)16-12(18-15)17-10-5-11(20-3)9(14)4-8(10)13/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18)
InChIKeyURUWHCYPDYLEGC-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116513815
1-amino-3-(3-bromo-4-fluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116516443
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
CID 107587201
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-3-(2-chloro-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104887980
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
CID 103413783
1-amino-2-(1-methoxypropan-2-yl)-3-quinolin-3-ylguanidine
CID 116511116
2-cyclopropyl-1-(2,4-dibromo-5-methoxyphenyl)guanidine
CID 103416831

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine (CID 103417257) is 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine is COCC(C)/N=C(\NN)Nc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is URUWHCYPDYLEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N4O2/c1-7(6-19-2)16-12(18-15)17-10-5-11(20-3)9(14)4-8(10)13/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine?
1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 410.11 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 103417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).