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

C15H19NO3S — CID 60898787

IUPAC1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCOc1ccccc1NCC(O)COCc1cccs1
InChIInChI=1S/C15H19NO3S/c1-18-15-7-3-2-6-14(15)16-9-12(17)10-19-11-13-5-4-8-20-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyGINXJWYCMCWSMQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.75
Rot. Bonds8

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

1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60898787) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60898787
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCOc1ccccc1NCC(O)COCc1cccs1
InChIInChI=1S/C15H19NO3S/c1-18-15-7-3-2-6-14(15)16-9-12(17)10-19-11-13-5-4-8-20-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyGINXJWYCMCWSMQ-UHFFFAOYSA-N
XLogP2.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 82860841
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-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-[1-(3-bromo-4-methoxyphenyl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 112799340
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
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-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60898787) is 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is COc1ccccc1NCC(O)COCc1cccs1.
What is the InChIKey of 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is GINXJWYCMCWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-18-15-7-3-2-6-14(15)16-9-12(17)10-19-11-13-5-4-8-20-13/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 293.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60898787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).