1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine

C10H14BrFN4 — CID 116513335

IUPAC1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN4/c1-2-5-14-10(16-13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyKIGZZGVURSFYTL-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.23
Rot. Bonds3

About 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine

1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine (PubChem CID 116513335) has the molecular formula C10H14BrFN4 and a molecular weight of 289.15 g/mol. Its IUPAC name is 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
PubChem CID116513335
Molecular FormulaC10H14BrFN4
Molecular Weight289.15 g/mol
Exact Mass288.04
IUPAC Name1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN4/c1-2-5-14-10(16-13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyKIGZZGVURSFYTL-UHFFFAOYSA-N
XLogP2.23
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.23
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-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 62381112
1-amino-3-(2-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 116515895
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
CID 116512257
1-amino-2-butyl-3-(2,4-dibromophenyl)guanidine
CID 116514777
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116513201
1-amino-3-(2-bromo-4-fluorophenyl)-2-butylguanidine
CID 116512697
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
ethyl 4-(5-bromo-2-fluoroanilino)-4-oxobutanoate
CID 63938681
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine (CID 116513335) is 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1cc(Br)ccc1F.
What is the InChIKey of 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The InChIKey is KIGZZGVURSFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN4/c1-2-5-14-10(16-13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine?
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine has a molecular weight of 289.15 g/mol, XLogP of 2.23, 3 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-fluorophenyl)-2-propylguanidine is sourced from PubChem (CID 116513335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).