1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol

C17H20BrNO2 — CID 60898167

IUPAC1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO2/c1-2-13-5-3-8-17(9-13)21-12-16(20)11-19-15-7-4-6-14(18)10-15/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyOYMNUWYKCHOCMH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.86
Rot. Bonds7

About 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol

1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol (PubChem CID 60898167) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
PubChem CID60898167
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CNc2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO2/c1-2-13-5-3-8-17(9-13)21-12-16(20)11-19-15-7-4-6-14(18)10-15/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyOYMNUWYKCHOCMH-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
CID 61467288
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-bromoanilino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 60898344

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol (CID 60898167) is 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol is CCc1cccc(OCC(O)CNc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol?
The InChIKey is OYMNUWYKCHOCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-13-5-3-8-17(9-13)21-12-16(20)11-19-15-7-4-6-14(18)10-15/h3-10,16,19-20H,2,11-12H2,1H3.
What are the key properties of 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol?
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 60898167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).