(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine

C12H15FIN — CID 131551788

IUPAC(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
SMILESN[C@H](c1cc(I)ccc1F)C1CCCC1
InChIInChI=1S/C12H15FIN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1
InChIKeyXSXJXCNZNLEDSY-LBPRGKRZSA-N
MW319.16 g/mol
LogP3.62
Rot. Bonds2

About (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine

(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine (PubChem CID 131551788) has the molecular formula C12H15FIN and a molecular weight of 319.16 g/mol. Its IUPAC name is (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
PubChem CID131551788
Molecular FormulaC12H15FIN
Molecular Weight319.16 g/mol
Exact Mass319.02
IUPAC Name(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
SMILESN[C@H](c1cc(I)ccc1F)C1CCCC1
InChIInChI=1S/C12H15FIN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1
InChIKeyXSXJXCNZNLEDSY-LBPRGKRZSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.62
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

(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine (CID 131551788) is (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine is N[C@H](c1cc(I)ccc1F)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine?
The InChIKey is XSXJXCNZNLEDSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FIN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine?
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine has a molecular weight of 319.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine is sourced from PubChem (CID 131551788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).