1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol

C12H18INO2 — CID 66335040

IUPAC1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc(I)cc1
InChIInChI=1S/C12H18INO2/c1-3-14-8-12(2,15)9-16-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyBCXGZRCTQIFFQA-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.03
Rot. Bonds6

About 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol

1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol (PubChem CID 66335040) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
PubChem CID66335040
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc(I)cc1
InChIInChI=1S/C12H18INO2/c1-3-14-8-12(2,15)9-16-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyBCXGZRCTQIFFQA-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778
2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66334410
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626547
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol (CID 66335040) is 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol is CCNCC(C)(O)COc1ccc(I)cc1.
What is the InChIKey of 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol?
The InChIKey is BCXGZRCTQIFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-3-14-8-12(2,15)9-16-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol?
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol has a molecular weight of 335.19 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 66335040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).