1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol

C15H16BrNO3 — CID 62264936

IUPAC1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3/c16-11-2-1-3-15(8-11)20-10-13(18)9-19-14-6-4-12(17)5-7-14/h1-8,13,18H,9-10,17H2
InChIKeyFMTCPQRVVBCJST-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol

1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol (PubChem CID 62264936) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
PubChem CID62264936
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3/c16-11-2-1-3-15(8-11)20-10-13(18)9-19-14-6-4-12(17)5-7-14/h1-8,13,18H,9-10,17H2
InChIKeyFMTCPQRVVBCJST-UHFFFAOYSA-N
XLogP2.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
1-(4-aminophenoxy)-3-(4-bromo-3-methylphenoxy)propan-2-ol
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1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol
CID 62269361
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
[3-(3-bromophenoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59017839
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol (CID 62264936) is 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol is Nc1ccc(OCC(O)COc2cccc(Br)c2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol?
The InChIKey is FMTCPQRVVBCJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-11-2-1-3-15(8-11)20-10-13(18)9-19-14-6-4-12(17)5-7-14/h1-8,13,18H,9-10,17H2.
What are the key properties of 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol?
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol has a molecular weight of 338.20 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol is sourced from PubChem (CID 62264936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).