1-(4-iodophenyl)-2-propylguanidine

C10H14IN3 — CID 62380143

IUPAC1-(4-iodophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(I)cc1
InChIInChI=1S/C10H14IN3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H3,12,13,14)
InChIKeyNNAIYRPQPDYWKG-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-iodophenyl)-2-propylguanidine

1-(4-iodophenyl)-2-propylguanidine (PubChem CID 62380143) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-propylguanidine
PubChem CID62380143
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name1-(4-iodophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(I)cc1
InChIInChI=1S/C10H14IN3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H3,12,13,14)
InChIKeyNNAIYRPQPDYWKG-UHFFFAOYSA-N
XLogP2.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.43
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine
CID 90644718
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
2-dodecyl-1-phenylguanidine
CID 101076594
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
CID 90644717
1-(4-ethoxy-3-fluorophenyl)-2-propylguanidine
CID 113399815
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine
CID 158151833
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
CID 90644712
1-(4-ethylphenyl)-2-[2-hydroxy-3-(4-iodophenoxy)propyl]guanidine;hydroiodide
CID 111097338
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-propylguanidine?
The IUPAC name of 1-(4-iodophenyl)-2-propylguanidine (CID 62380143) is 1-(4-iodophenyl)-2-propylguanidine.
What is the SMILES notation for 1-(4-iodophenyl)-2-propylguanidine?
The canonical SMILES for 1-(4-iodophenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-propylguanidine?
The InChIKey is NNAIYRPQPDYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-2-7-13-10(12)14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H3,12,13,14).
What are the key properties of 1-(4-iodophenyl)-2-propylguanidine?
1-(4-iodophenyl)-2-propylguanidine has a molecular weight of 303.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-propylguanidine is sourced from PubChem (CID 62380143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).