1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine

C10H13ClIN3 — CID 107638202

IUPAC1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H13ClIN3/c1-6(2)14-10(13)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyWLDOESXMORPDNI-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.08
Rot. Bonds2

About 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine

1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine (PubChem CID 107638202) has the molecular formula C10H13ClIN3 and a molecular weight of 337.59 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
PubChem CID107638202
Molecular FormulaC10H13ClIN3
Molecular Weight337.59 g/mol
Exact Mass336.98
IUPAC Name1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H13ClIN3/c1-6(2)14-10(13)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyWLDOESXMORPDNI-UHFFFAOYSA-N
XLogP3.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.08
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-chloro-2-(trifluoromethyl)phenyl]-2-propan-2-ylguanidine
CID 55068877
1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
CID 107638204
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
CID 107531363
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine (CID 107638202) is 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine is CC(C)/N=C(\N)Nc1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine?
The InChIKey is WLDOESXMORPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN3/c1-6(2)14-10(13)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H3,13,14,15).
What are the key properties of 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine?
1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine has a molecular weight of 337.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 107638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).