1-(2,5-dibromophenyl)-2-propan-2-ylguanidine

C10H13Br2N3 — CID 62381120

IUPAC1-(2,5-dibromophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2N3/c1-6(2)14-10(13)15-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyIMAZJDNTLIRTTN-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.35
Rot. Bonds2

About 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine

1-(2,5-dibromophenyl)-2-propan-2-ylguanidine (PubChem CID 62381120) has the molecular formula C10H13Br2N3 and a molecular weight of 335.04 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-propan-2-ylguanidine
PubChem CID62381120
Molecular FormulaC10H13Br2N3
Molecular Weight335.04 g/mol
Exact Mass332.95
IUPAC Name1-(2,5-dibromophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2N3/c1-6(2)14-10(13)15-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyIMAZJDNTLIRTTN-UHFFFAOYSA-N
XLogP3.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.35
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

1-(2,5-dibromophenyl)-3-propan-2-ylthiourea
CID 115579454
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
CID 51945845
1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
CID 62381483
1-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylguanidine
CID 66476623
(2S,3R)-2-[(2,5-dibromophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966010
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
CID 79043510

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine (CID 62381120) is 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine is CC(C)/N=C(\N)Nc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine?
The InChIKey is IMAZJDNTLIRTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3/c1-6(2)14-10(13)15-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine?
1-(2,5-dibromophenyl)-2-propan-2-ylguanidine has a molecular weight of 335.04 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62381120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).