1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

C14H20BrClFNO3 — CID 107611301

IUPAC1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H20BrClFNO3/c1-9(2)21-4-3-20-8-11(19)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,9,11,18-19H,3-4,7-8H2,1-2H3
InChIKeyQSJNBZALCQNNMT-UHFFFAOYSA-N
MW384.67 g/mol
LogP3.46
Rot. Bonds9

About 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 107611301) has the molecular formula C14H20BrClFNO3 and a molecular weight of 384.67 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID107611301
Molecular FormulaC14H20BrClFNO3
Molecular Weight384.67 g/mol
Exact Mass383.03
IUPAC Name1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H20BrClFNO3/c1-9(2)21-4-3-20-8-11(19)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,9,11,18-19H,3-4,7-8H2,1-2H3
InChIKeyQSJNBZALCQNNMT-UHFFFAOYSA-N
XLogP3.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.67
LogP ≤ 53.46
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-propan-2-yloxyethoxy)-3-(2,4,5-trichloroanilino)propan-2-ol
CID 60896346
1-(2-bromo-4,6-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900257
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 60900042
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
1-[(4-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60970520

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 107611301) is 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is QSJNBZALCQNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClFNO3/c1-9(2)21-4-3-20-8-11(19)7-18-14-12(15)5-10(17)6-13(14)16/h5-6,9,11,18-19H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 384.67 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 107611301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).