1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol

C15H15BrFNO3 — CID 62269361

IUPAC1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol
SMILESNc1cccc(OCC(O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO3/c16-10-4-5-15(14(17)6-10)21-9-12(19)8-20-13-3-1-2-11(18)7-13/h1-7,12,19H,8-9,18H2
InChIKeyUKAVQNAVNKYFML-UHFFFAOYSA-N
MW356.19 g/mol
LogP2.99
Rot. Bonds6

About 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol

1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol (PubChem CID 62269361) has the molecular formula C15H15BrFNO3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol
PubChem CID62269361
Molecular FormulaC15H15BrFNO3
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol
SMILESNc1cccc(OCC(O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO3/c16-10-4-5-15(14(17)6-10)21-9-12(19)8-20-13-3-1-2-11(18)7-13/h1-7,12,19H,8-9,18H2
InChIKeyUKAVQNAVNKYFML-UHFFFAOYSA-N
XLogP2.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
methyl 4-[3-(4-bromo-2-fluorophenoxy)-2-hydroxypropoxy]benzoate
CID 112806054
1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
CID 109415416
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43531314
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol (CID 62269361) is 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol is Nc1cccc(OCC(O)COc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol?
The InChIKey is UKAVQNAVNKYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3/c16-10-4-5-15(14(17)6-10)21-9-12(19)8-20-13-3-1-2-11(18)7-13/h1-7,12,19H,8-9,18H2.
What are the key properties of 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol?
1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol has a molecular weight of 356.19 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 62269361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).