(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride

C16H19ClINO — CID 45262285

IUPAC(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
SMILESCNCC[C@@H](Oc1ccccc1I)c1ccccc1.Cl
InChIInChI=1S/C16H18INO.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H/t15-;/m1./s1
InChIKeyJIZARGCCECGFSP-XFULWGLBSA-N
MW403.69 g/mol
LogP4.44
Rot. Bonds6

About (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride

(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 45262285) has the molecular formula C16H19ClINO and a molecular weight of 403.69 g/mol. Its IUPAC name is (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
PubChem CID45262285
Molecular FormulaC16H19ClINO
Molecular Weight403.69 g/mol
Exact Mass403.02
IUPAC Name(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
SMILESCNCC[C@@H](Oc1ccccc1I)c1ccccc1.Cl
InChIInChI=1S/C16H18INO.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H/t15-;/m1./s1
InChIKeyJIZARGCCECGFSP-XFULWGLBSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride (CID 45262285) is (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride is CNCC[C@@H](Oc1ccccc1I)c1ccccc1.Cl.
What is the InChIKey of (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is JIZARGCCECGFSP-XFULWGLBSA-N. The full InChI is InChI=1S/C16H18INO.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride?
(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 403.69 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 45262285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).