(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride

C11H14ClFIN — CID 171216193

IUPAC(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(I)ccc1F)C1CCC1
InChIInChI=1S/C11H13FIN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyLEKXXLPRTAGSFU-RFVHGSKJSA-N
MW341.60 g/mol
LogP3.65
Rot. Bonds2

About (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride

(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride (PubChem CID 171216193) has the molecular formula C11H14ClFIN and a molecular weight of 341.60 g/mol. Its IUPAC name is (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
PubChem CID171216193
Molecular FormulaC11H14ClFIN
Molecular Weight341.60 g/mol
Exact Mass340.98
IUPAC Name(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(I)ccc1F)C1CCC1
InChIInChI=1S/C11H13FIN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyLEKXXLPRTAGSFU-RFVHGSKJSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride (CID 171216193) is (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cc(I)ccc1F)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride?
The InChIKey is LEKXXLPRTAGSFU-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13FIN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride has a molecular weight of 341.60 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171216193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).