1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol

C16H21NO3 — CID 106989395

IUPAC1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3/c1-19-8-9-20-12-16(18)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyQEHWUFLAIKRCID-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds8

About 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol

1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol (PubChem CID 106989395) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
PubChem CID106989395
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
SMILESCOCCOCC(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3/c1-19-8-9-20-12-16(18)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyQEHWUFLAIKRCID-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
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-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
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-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106287465
1-hexoxy-3-(4-methoxyanilino)propan-2-ol
CID 60900152

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol (CID 106989395) is 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol is COCCOCC(O)CNc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol?
The InChIKey is QEHWUFLAIKRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-8-9-20-12-16(18)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol is sourced from PubChem (CID 106989395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).