1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine

C10H14ClIN4 — CID 107605066

IUPAC1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H14ClIN4/c1-2-5-14-10(16-13)15-9-4-3-7(12)6-8(9)11/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyQVCJTFAJVNKKKD-UHFFFAOYSA-N
MW352.61 g/mol
LogP2.59
Rot. Bonds3

About 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine

1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine (PubChem CID 107605066) has the molecular formula C10H14ClIN4 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
PubChem CID107605066
Molecular FormulaC10H14ClIN4
Molecular Weight352.61 g/mol
Exact Mass352.00
IUPAC Name1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H14ClIN4/c1-2-5-14-10(16-13)15-9-4-3-7(12)6-8(9)11/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16)
InChIKeyQVCJTFAJVNKKKD-UHFFFAOYSA-N
XLogP2.59
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 52.59
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
CID 114258213
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-amino-2-butyl-3-(2,4,5-trichlorophenyl)guanidine
CID 116511775
1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine
CID 104882726
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
CID 116511440
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
1-amino-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 116515184
1-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
CID 116515734
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine (CID 107605066) is 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1ccc(I)cc1Cl.
What is the InChIKey of 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine?
The InChIKey is QVCJTFAJVNKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN4/c1-2-5-14-10(16-13)15-9-4-3-7(12)6-8(9)11/h3-4,6H,2,5,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine?
1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine has a molecular weight of 352.61 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine is sourced from PubChem (CID 107605066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).