1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine

C10H13BrClN3 — CID 103481487

IUPAC1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN3/c1-6(2)14-10(13)15-8-5-3-4-7(12)9(8)11/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyCBCDDOGMWFOHHS-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine

1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine (PubChem CID 103481487) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
PubChem CID103481487
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC Name1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN3/c1-6(2)14-10(13)15-8-5-3-4-7(12)9(8)11/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyCBCDDOGMWFOHHS-UHFFFAOYSA-N
XLogP3.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
CID 107531363
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
CID 103478742
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
CID 79043510
1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
CID 107638202

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine (CID 103481487) is 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine is CC(C)/N=C(\N)Nc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine?
The InChIKey is CBCDDOGMWFOHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-6(2)14-10(13)15-8-5-3-4-7(12)9(8)11/h3-6H,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine?
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine has a molecular weight of 290.59 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 103481487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).