1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H16INO2S — CID 60899650

IUPAC1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(I)c1)COCc1cccs1
InChIInChI=1S/C14H16INO2S/c15-11-3-1-4-12(7-11)16-8-13(17)9-18-10-14-5-2-6-19-14/h1-7,13,16-17H,8-10H2
InChIKeyRXQXDVXSDBGVMW-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.34
Rot. Bonds7

About 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60899650) has the molecular formula C14H16INO2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60899650
Molecular FormulaC14H16INO2S
Molecular Weight389.26 g/mol
Exact Mass388.99
IUPAC Name1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(I)c1)COCc1cccs1
InChIInChI=1S/C14H16INO2S/c15-11-3-1-4-12(7-11)16-8-13(17)9-18-10-14-5-2-6-19-14/h1-7,13,16-17H,8-10H2
InChIKeyRXQXDVXSDBGVMW-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.34
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-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-(4-bromo-3-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 82860841
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107804841
1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79769188
1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60910138
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60899650) is 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNc1cccc(I)c1)COCc1cccs1.
What is the InChIKey of 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is RXQXDVXSDBGVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO2S/c15-11-3-1-4-12(7-11)16-8-13(17)9-18-10-14-5-2-6-19-14/h1-7,13,16-17H,8-10H2.
What are the key properties of 1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 389.26 g/mol, XLogP of 3.34, 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-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60899650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).