(1R)-1-iodo-1-phenylethanamine

C8H10IN — CID 68727841

IUPAC(1R)-1-iodo-1-phenylethanamine
SMILESC[C@@](N)(I)c1ccccc1
InChIInChI=1S/C8H10IN/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,10H2,1H3/t8-/m0/s1
InChIKeyJWHRCQPDFVHFCP-QMMMGPOBSA-N
MW247.08 g/mol
LogP2.25
Rot. Bonds1

About (1R)-1-iodo-1-phenylethanamine

(1R)-1-iodo-1-phenylethanamine (PubChem CID 68727841) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is (1R)-1-iodo-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-iodo-1-phenylethanamine
PubChem CID68727841
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name(1R)-1-iodo-1-phenylethanamine
SMILESC[C@@](N)(I)c1ccccc1
InChIInChI=1S/C8H10IN/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,10H2,1H3/t8-/m0/s1
InChIKeyJWHRCQPDFVHFCP-QMMMGPOBSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylethanamine
CID 12761172
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
[bromo(diiodo)methyl]benzene
CID 152582923
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454

Frequently Asked Questions

What is the IUPAC name of (1R)-1-iodo-1-phenylethanamine?
The IUPAC name of (1R)-1-iodo-1-phenylethanamine (CID 68727841) is (1R)-1-iodo-1-phenylethanamine.
What is the SMILES notation for (1R)-1-iodo-1-phenylethanamine?
The canonical SMILES for (1R)-1-iodo-1-phenylethanamine is C[C@@](N)(I)c1ccccc1.
What is the InChIKey of (1R)-1-iodo-1-phenylethanamine?
The InChIKey is JWHRCQPDFVHFCP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10IN/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,10H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-iodo-1-phenylethanamine?
(1R)-1-iodo-1-phenylethanamine has a molecular weight of 247.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-iodo-1-phenylethanamine is sourced from PubChem (CID 68727841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).