1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol

C13H21NO4 — CID 106989238

IUPAC1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1cccc(OC)c1
InChIInChI=1S/C13H21NO4/c1-16-6-7-18-10-12(15)9-14-11-4-3-5-13(8-11)17-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyISYIUYPPZALVQY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.13
Rot. Bonds9

About 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol

1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989238) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989238
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1cccc(OC)c1
InChIInChI=1S/C13H21NO4/c1-16-6-7-18-10-12(15)9-14-11-4-3-5-13(8-11)17-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyISYIUYPPZALVQY-UHFFFAOYSA-N
XLogP1.13
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.13
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

1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080
1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol (CID 106989238) is 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ISYIUYPPZALVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-6-7-18-10-12(15)9-14-11-4-3-5-13(8-11)17-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol?
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).