1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol

C15H25NO4 — CID 60897925

IUPAC1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO4/c1-4-19-7-8-20-11-13(17)10-16-14-9-12(2)5-6-15(14)18-3/h5-6,9,13,16-17H,4,7-8,10-11H2,1-3H3
InChIKeyOJRBCDKMBHVZFX-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.83
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol

1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol (PubChem CID 60897925) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
PubChem CID60897925
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO4/c1-4-19-7-8-20-11-13(17)10-16-14-9-12(2)5-6-15(14)18-3/h5-6,9,13,16-17H,4,7-8,10-11H2,1-3H3
InChIKeyOJRBCDKMBHVZFX-UHFFFAOYSA-N
XLogP1.83
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
4-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-3-methoxybenzonitrile
CID 104848700
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol (CID 60897925) is 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol is CCOCCOCC(O)CNc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol?
The InChIKey is OJRBCDKMBHVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-19-7-8-20-11-13(17)10-16-14-9-12(2)5-6-15(14)18-3/h5-6,9,13,16-17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol is sourced from PubChem (CID 60897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).