(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium

C18H23INO2+ — CID 2234199

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1cc(I)ccc1OCc1ccccc1
InChIInChI=1S/C18H22INO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3/p+1
InChIKeyIPXRMZAXIXYVAS-UHFFFAOYSA-O
MW412.29 g/mol
LogP2.70
Rot. Bonds7

About (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium

(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium (PubChem CID 2234199) has the molecular formula C18H23INO2+ and a molecular weight of 412.29 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium
PubChem CID2234199
Molecular FormulaC18H23INO2+
Molecular Weight412.29 g/mol
Exact Mass412.08
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1cc(I)ccc1OCc1ccccc1
InChIInChI=1S/C18H22INO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3/p+1
InChIKeyIPXRMZAXIXYVAS-UHFFFAOYSA-O
XLogP2.70
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
CID 44665847
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
4-iodo-2-phenylmethoxyaniline
CID 66756754
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium (CID 2234199) is (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium is CC(C)(CO)[NH2+]Cc1cc(I)ccc1OCc1ccccc1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is IPXRMZAXIXYVAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22INO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium?
(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 412.29 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 2234199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).