(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine

C11H15FIN — CID 130900597

IUPAC(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(F)ccc1I
InChIInChI=1S/C11H15FIN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyFIXBDSMLBBVIIS-JTQLQIEISA-N
MW307.15 g/mol
LogP3.48
Rot. Bonds1

About (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130900597) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130900597
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC Name(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1cc(F)ccc1I
InChIInChI=1S/C11H15FIN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyFIXBDSMLBBVIIS-JTQLQIEISA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.48
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

(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine (CID 130900597) is (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1cc(F)ccc1I.
What is the InChIKey of (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is FIXBDSMLBBVIIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15FIN/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 307.15 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130900597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).