1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine

C11H15BrN4 — CID 116513464

IUPAC1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
SMILESCc1ccc(Br)cc1N/C(=N/C1CC1)NN
InChIInChI=1S/C11H15BrN4/c1-7-2-3-8(12)6-10(7)15-11(16-13)14-9-4-5-9/h2-3,6,9H,4-5,13H2,1H3,(H2,14,15,16)
InChIKeyDNAHIVBBRGUJFI-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.15
Rot. Bonds2

About 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine

1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine (PubChem CID 116513464) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
PubChem CID116513464
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC Name1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
SMILESCc1ccc(Br)cc1N/C(=N/C1CC1)NN
InChIInChI=1S/C11H15BrN4/c1-7-2-3-8(12)6-10(7)15-11(16-13)14-9-4-5-9/h2-3,6,9H,4-5,13H2,1H3,(H2,14,15,16)
InChIKeyDNAHIVBBRGUJFI-UHFFFAOYSA-N
XLogP2.15
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-bromo-2-(trifluoromethyl)phenyl]-2-cyclopropylguanidine
CID 116513473
1-amino-2-cyclopentyl-3-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 116515674
1-amino-2-cyclopropyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515203
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
CID 116516391
1-amino-2-cyclohexyl-3-(2,5-difluoro-4-methylphenyl)guanidine
CID 103587960
1-amino-3-(2-bromo-4-fluorophenyl)-2-cyclohexylguanidine
CID 116512701
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
CID 116511707
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine (CID 116513464) is 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine is Cc1ccc(Br)cc1N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine?
The InChIKey is DNAHIVBBRGUJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-7-2-3-8(12)6-10(7)15-11(16-13)14-9-4-5-9/h2-3,6,9H,4-5,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine?
1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine has a molecular weight of 283.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 116513464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).