(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine

C10H13FIN — CID 131075545

IUPAC(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(I)ccc1F
InChIInChI=1S/C10H13FIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyKIUJDBGNAKFZHK-SNVBAGLBSA-N
MW293.12 g/mol
LogP3.09
Rot. Bonds2

About (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine

(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine (PubChem CID 131075545) has the molecular formula C10H13FIN and a molecular weight of 293.12 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
PubChem CID131075545
Molecular FormulaC10H13FIN
Molecular Weight293.12 g/mol
Exact Mass293.01
IUPAC Name(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(I)ccc1F
InChIInChI=1S/C10H13FIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyKIUJDBGNAKFZHK-SNVBAGLBSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.09
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

(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1S,2R)-1-amino-1-(2-fluoro-5-iodophenyl)-5-methylhexan-2-ol
CID 171271749
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
CID 171266085
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1R)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171216180

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine (CID 131075545) is (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine is CC(C)[C@@H](N)c1cc(I)ccc1F.
What is the InChIKey of (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine?
The InChIKey is KIUJDBGNAKFZHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13FIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine?
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine has a molecular weight of 293.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 131075545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).