[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium

C15H23INO+ — CID 143518807

IUPAC[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium
SMILESCC1CN(c2ccc(C(C)C)c([IH+])c2)CC(C)O1
InChIInChI=1S/C15H23INO/c1-10(2)14-6-5-13(7-15(14)16)17-8-11(3)18-12(4)9-17/h5-7,10-12,16H,8-9H2,1-4H3/q+1
InChIKeyRKVZOXJEXPYZEC-UHFFFAOYSA-N
MW360.26 g/mol
LogP-0.12
Rot. Bonds2

About [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium

[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium (PubChem CID 143518807) has the molecular formula C15H23INO+ and a molecular weight of 360.26 g/mol. Its IUPAC name is [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium.

Molecular Properties

Compound Name[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium
PubChem CID143518807
Molecular FormulaC15H23INO+
Molecular Weight360.26 g/mol
Exact Mass360.08
IUPAC Name[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium
SMILESCC1CN(c2ccc(C(C)C)c([IH+])c2)CC(C)O1
InChIInChI=1S/C15H23INO/c1-10(2)14-6-5-13(7-15(14)16)17-8-11(3)18-12(4)9-17/h5-7,10-12,16H,8-9H2,1-4H3/q+1
InChIKeyRKVZOXJEXPYZEC-UHFFFAOYSA-N
XLogP-0.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959054
5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
CID 81309267
4-(4-tert-butyl-3-chlorophenyl)-2,6-dimethylmorpholine
CID 129268374

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium?
The IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium (CID 143518807) is [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium.
What is the SMILES notation for [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium?
The canonical SMILES for [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium is CC1CN(c2ccc(C(C)C)c([IH+])c2)CC(C)O1.
What is the InChIKey of [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium?
The InChIKey is RKVZOXJEXPYZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23INO/c1-10(2)14-6-5-13(7-15(14)16)17-8-11(3)18-12(4)9-17/h5-7,10-12,16H,8-9H2,1-4H3/q+1.
What are the key properties of [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium?
[5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium has a molecular weight of 360.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethylmorpholin-4-yl)-2-propan-2-ylphenyl]iodanium is sourced from PubChem (CID 143518807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).