1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol

C15H23ClFNO3 — CID 107528089

IUPAC1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(F)ccc1Cl
InChIInChI=1S/C15H23ClFNO3/c1-2-3-6-20-7-8-21-11-13(19)10-18-15-9-12(17)4-5-14(15)16/h4-5,9,13,18-19H,2-3,6-8,10-11H2,1H3
InChIKeyVOYJIEVRERJOGU-UHFFFAOYSA-N
MW319.80 g/mol
LogP3.09
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol

1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol (PubChem CID 107528089) has the molecular formula C15H23ClFNO3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
PubChem CID107528089
Molecular FormulaC15H23ClFNO3
Molecular Weight319.80 g/mol
Exact Mass319.14
IUPAC Name1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cc(F)ccc1Cl
InChIInChI=1S/C15H23ClFNO3/c1-2-3-6-20-7-8-21-11-13(19)10-18-15-9-12(17)4-5-14(15)16/h4-5,9,13,18-19H,2-3,6-8,10-11H2,1H3
InChIKeyVOYJIEVRERJOGU-UHFFFAOYSA-N
XLogP3.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 53.09
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-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60908651
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902028
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
1-(4-amino-2-bromo-5-fluoroanilino)-3-butoxypropan-2-ol;ethane
CID 156821729
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol (CID 107528089) is 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol is CCCCOCCOCC(O)CNc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol?
The InChIKey is VOYJIEVRERJOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO3/c1-2-3-6-20-7-8-21-11-13(19)10-18-15-9-12(17)4-5-14(15)16/h4-5,9,13,18-19H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol?
1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol has a molecular weight of 319.80 g/mol, XLogP of 3.09, 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-chloro-5-fluoroanilino)propan-2-ol is sourced from PubChem (CID 107528089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).