1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol

C16H18INO3 — CID 60900225

IUPAC1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNc1cccc(I)c1
InChIInChI=1S/C16H18INO3/c1-20-15-7-2-3-8-16(15)21-11-14(19)10-18-13-6-4-5-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3
InChIKeyPFIZVNSCZMNDSS-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol

1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 60900225) has the molecular formula C16H18INO3 and a molecular weight of 399.23 g/mol. Its IUPAC name is 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID60900225
Molecular FormulaC16H18INO3
Molecular Weight399.23 g/mol
Exact Mass399.03
IUPAC Name1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNc1cccc(I)c1
InChIInChI=1S/C16H18INO3/c1-20-15-7-2-3-8-16(15)21-11-14(19)10-18-13-6-4-5-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3
InChIKeyPFIZVNSCZMNDSS-UHFFFAOYSA-N
XLogP3.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
[2-hydroxy-3-(3-iodoanilino)propyl] 2-methylbutanoate
CID 59017798
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol (CID 60900225) is 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNc1cccc(I)c1.
What is the InChIKey of 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is PFIZVNSCZMNDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO3/c1-20-15-7-2-3-8-16(15)21-11-14(19)10-18-13-6-4-5-12(17)9-13/h2-9,14,18-19H,10-11H2,1H3.
What are the key properties of 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol?
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 399.23 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60900225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).