1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol

C16H26FNO3 — CID 60901744

IUPAC1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C16H26FNO3/c1-3-4-7-20-8-9-21-12-14(19)11-18-16-10-13(2)5-6-15(16)17/h5-6,10,14,18-19H,3-4,7-9,11-12H2,1-2H3
InChIKeyXEAGYVDPZJHKND-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.74
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol

1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol (PubChem CID 60901744) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
PubChem CID60901744
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C16H26FNO3/c1-3-4-7-20-8-9-21-12-14(19)11-18-16-10-13(2)5-6-15(16)17/h5-6,10,14,18-19H,3-4,7-9,11-12H2,1-2H3
InChIKeyXEAGYVDPZJHKND-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.74
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-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60908651
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
CID 107528089
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol (CID 60901744) is 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol is CCCCOCCOCC(O)CNc1cc(C)ccc1F.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
The InChIKey is XEAGYVDPZJHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-3-4-7-20-8-9-21-12-14(19)11-18-16-10-13(2)5-6-15(16)17/h5-6,10,14,18-19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol?
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol has a molecular weight of 299.39 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol is sourced from PubChem (CID 60901744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).