1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol

C13H20FNO3 — CID 60897562

IUPAC1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C13H20FNO3/c1-2-17-6-7-18-10-13(16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15-16H,2,6-7,9-10H2,1H3
InChIKeyQSUATXLJCMPTHW-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.65
Rot. Bonds9

About 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol

1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol (PubChem CID 60897562) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
PubChem CID60897562
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C13H20FNO3/c1-2-17-6-7-18-10-13(16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15-16H,2,6-7,9-10H2,1H3
InChIKeyQSUATXLJCMPTHW-UHFFFAOYSA-N
XLogP1.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.65
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-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
CID 60897189
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol (CID 60897562) is 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol is CCOCCOCC(O)CNc1cccc(F)c1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol?
The InChIKey is QSUATXLJCMPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-2-17-6-7-18-10-13(16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15-16H,2,6-7,9-10H2,1H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60897562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).