3-[2-(2-methoxyethyl)anilino]propan-1-ol

C12H19NO2 — CID 102847222

IUPAC3-[2-(2-methoxyethyl)anilino]propan-1-ol
SMILESCOCCc1ccccc1NCCCO
InChIInChI=1S/C12H19NO2/c1-15-10-7-11-5-2-3-6-12(11)13-8-4-9-14/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyWIVSVGBECITIBS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds7

About 3-[2-(2-methoxyethyl)anilino]propan-1-ol

3-[2-(2-methoxyethyl)anilino]propan-1-ol (PubChem CID 102847222) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)anilino]propan-1-ol
PubChem CID102847222
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[2-(2-methoxyethyl)anilino]propan-1-ol
SMILESCOCCc1ccccc1NCCCO
InChIInChI=1S/C12H19NO2/c1-15-10-7-11-5-2-3-6-12(11)13-8-4-9-14/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyWIVSVGBECITIBS-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264
5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
2-(2-butylanilino)ethanol
CID 139597188
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-[2-(2-methoxyethyl)anilino]-N-propylacetamide
CID 102847374
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)anilino]propan-1-ol?
The IUPAC name of 3-[2-(2-methoxyethyl)anilino]propan-1-ol (CID 102847222) is 3-[2-(2-methoxyethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[2-(2-methoxyethyl)anilino]propan-1-ol is COCCc1ccccc1NCCCO.
What is the InChIKey of 3-[2-(2-methoxyethyl)anilino]propan-1-ol?
The InChIKey is WIVSVGBECITIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-10-7-11-5-2-3-6-12(11)13-8-4-9-14/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of 3-[2-(2-methoxyethyl)anilino]propan-1-ol?
3-[2-(2-methoxyethyl)anilino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)anilino]propan-1-ol is sourced from PubChem (CID 102847222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).