1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol

C17H20BrNO2 — CID 60900116

IUPAC1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
SMILESCCc1ccccc1NCC(O)COc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-13-6-3-4-9-17(13)19-11-15(20)12-21-16-8-5-7-14(18)10-16/h3-10,15,19-20H,2,11-12H2,1H3
InChIKeyKNSSHIWLXBVMQB-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.86
Rot. Bonds7

About 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol

1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol (PubChem CID 60900116) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
PubChem CID60900116
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
SMILESCCc1ccccc1NCC(O)COc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-13-6-3-4-9-17(13)19-11-15(20)12-21-16-8-5-7-14(18)10-16/h3-10,15,19-20H,2,11-12H2,1H3
InChIKeyKNSSHIWLXBVMQB-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-(2-ethylanilino)propan-2-ol
CID 60721029
1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
CID 60910317
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol (CID 60900116) is 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol is CCc1ccccc1NCC(O)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol?
The InChIKey is KNSSHIWLXBVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-13-6-3-4-9-17(13)19-11-15(20)12-21-16-8-5-7-14(18)10-16/h3-10,15,19-20H,2,11-12H2,1H3.
What are the key properties of 1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol?
1-(3-bromophenoxy)-3-(2-ethylanilino)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-bromophenoxy)-3-(2-ethylanilino)propan-2-ol is sourced from PubChem (CID 60900116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).