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

C15H25NO3 — CID 106989673

IUPAC1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
SMILESCCCc1ccccc1NCC(O)COCCOC
InChIInChI=1S/C15H25NO3/c1-3-6-13-7-4-5-8-15(13)16-11-14(17)12-19-10-9-18-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3
InChIKeyNXTJVNSVJOXMOM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.07
Rot. Bonds10

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

1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol (PubChem CID 106989673) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
PubChem CID106989673
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
SMILESCCCc1ccccc1NCC(O)COCCOC
InChIInChI=1S/C15H25NO3/c1-3-6-13-7-4-5-8-15(13)16-11-14(17)12-19-10-9-18-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3
InChIKeyNXTJVNSVJOXMOM-UHFFFAOYSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106990645
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol (CID 106989673) is 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol is CCCc1ccccc1NCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol?
The InChIKey is NXTJVNSVJOXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-6-13-7-4-5-8-15(13)16-11-14(17)12-19-10-9-18-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol?
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol is sourced from PubChem (CID 106989673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).