1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol

C14H16INO3 — CID 60901372

IUPAC1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
SMILESOC(CNc1ccc(I)cc1)COCc1ccco1
InChIInChI=1S/C14H16INO3/c15-11-3-5-12(6-4-11)16-8-13(17)9-18-10-14-2-1-7-19-14/h1-7,13,16-17H,8-10H2
InChIKeyTYZDEKZNLQVVDL-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.87
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol

1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol (PubChem CID 60901372) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
PubChem CID60901372
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
SMILESOC(CNc1ccc(I)cc1)COCc1ccco1
InChIInChI=1S/C14H16INO3/c15-11-3-5-12(6-4-11)16-8-13(17)9-18-10-14-2-1-7-19-14/h1-7,13,16-17H,8-10H2
InChIKeyTYZDEKZNLQVVDL-UHFFFAOYSA-N
XLogP2.87
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.87
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-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 60901726
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
1-(5-bromo-2,4-difluoroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 102853485
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol (CID 60901372) is 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol is OC(CNc1ccc(I)cc1)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol?
The InChIKey is TYZDEKZNLQVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-11-3-5-12(6-4-11)16-8-13(17)9-18-10-14-2-1-7-19-14/h1-7,13,16-17H,8-10H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol has a molecular weight of 373.19 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol is sourced from PubChem (CID 60901372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).