potassium;1-phenylpropan-2-amine;iodide

C9H13IKN — CID 70390373

IUPACpotassium;1-phenylpropan-2-amine;iodide
SMILESCC(N)Cc1ccccc1.[I-].[K+]
InChIInChI=1S/C9H13N.HI.K/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8H,7,10H2,1H3;1H;/q;;+1/p-1
InChIKeyRITSQUQUGHZBBQ-UHFFFAOYSA-M
MW301.21 g/mol
LogP-4.42
Rot. Bonds2

About potassium;1-phenylpropan-2-amine;iodide

potassium;1-phenylpropan-2-amine;iodide (PubChem CID 70390373) has the molecular formula C9H13IKN and a molecular weight of 301.21 g/mol. Its IUPAC name is potassium;1-phenylpropan-2-amine;iodide.

Molecular Properties

Compound Namepotassium;1-phenylpropan-2-amine;iodide
PubChem CID70390373
Molecular FormulaC9H13IKN
Molecular Weight301.21 g/mol
Exact Mass300.97
IUPAC Namepotassium;1-phenylpropan-2-amine;iodide
SMILESCC(N)Cc1ccccc1.[I-].[K+]
InChIInChI=1S/C9H13N.HI.K/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8H,7,10H2,1H3;1H;/q;;+1/p-1
InChIKeyRITSQUQUGHZBBQ-UHFFFAOYSA-M
XLogP-4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 5-4.42
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

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
1-amino-2-phenylethanethiol;1-phenylpropan-2-amine
CID 160760295
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
N-deuterio-1-phenylpropan-2-amine
CID 54017748
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020

Frequently Asked Questions

What is the IUPAC name of potassium;1-phenylpropan-2-amine;iodide?
The IUPAC name of potassium;1-phenylpropan-2-amine;iodide (CID 70390373) is potassium;1-phenylpropan-2-amine;iodide.
What is the SMILES notation for potassium;1-phenylpropan-2-amine;iodide?
The canonical SMILES for potassium;1-phenylpropan-2-amine;iodide is CC(N)Cc1ccccc1.[I-].[K+].
What is the InChIKey of potassium;1-phenylpropan-2-amine;iodide?
The InChIKey is RITSQUQUGHZBBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N.HI.K/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8H,7,10H2,1H3;1H;/q;;+1/p-1.
What are the key properties of potassium;1-phenylpropan-2-amine;iodide?
potassium;1-phenylpropan-2-amine;iodide has a molecular weight of 301.21 g/mol, XLogP of -4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-phenylpropan-2-amine;iodide is sourced from PubChem (CID 70390373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).