3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol

C11H16INO2 — CID 66175909

IUPAC3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(I)cc1
InChIInChI=1S/C11H16INO2/c1-8(13-6-11(15)7-14)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3
InChIKeyAIALVOCWUWVFAP-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.29
Rot. Bonds5

About 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol

3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol (PubChem CID 66175909) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
PubChem CID66175909
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(I)cc1
InChIInChI=1S/C11H16INO2/c1-8(13-6-11(15)7-14)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3
InChIKeyAIALVOCWUWVFAP-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
CID 43769130
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
2-(4-iodophenyl)propan-1-ol
CID 118041609
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
CID 111755561
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol (CID 66175909) is 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)c1ccc(I)cc1.
What is the InChIKey of 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol?
The InChIKey is AIALVOCWUWVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-8(13-6-11(15)7-14)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3.
What are the key properties of 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol?
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol has a molecular weight of 321.16 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66175909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).