1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine

C11H16ClIN4O — CID 107639656

IUPAC1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H16ClIN4O/c1-7(6-18-2)15-11(17-14)16-10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3,(H2,15,16,17)
InChIKeyRNQDNRKVCOUADA-UHFFFAOYSA-N
MW382.63 g/mol
LogP2.21
Rot. Bonds4

About 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine

1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 107639656) has the molecular formula C11H16ClIN4O and a molecular weight of 382.63 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
PubChem CID107639656
Molecular FormulaC11H16ClIN4O
Molecular Weight382.63 g/mol
Exact Mass382.01
IUPAC Name1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H16ClIN4O/c1-7(6-18-2)15-11(17-14)16-10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3,(H2,15,16,17)
InChIKeyRNQDNRKVCOUADA-UHFFFAOYSA-N
XLogP2.21
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-3-(3-bromo-4-fluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116516443
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 103417257
1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116513815
1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
CID 107638202
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-3-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116514806
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
1-amino-2-(1-methoxypropan-2-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 116514677

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine (CID 107639656) is 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine is COCC(C)/N=C(\NN)Nc1ccc(Cl)cc1I.
What is the InChIKey of 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is RNQDNRKVCOUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN4O/c1-7(6-18-2)15-11(17-14)16-10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine?
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 382.63 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 107639656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).