1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol

C16H20BrNO2S — CID 61223351

IUPAC1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cc1ccsc1)NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO2S/c1-12(8-13-6-7-21-11-13)18-9-15(19)10-20-16-4-2-14(17)3-5-16/h2-7,11-12,15,18-19H,8-10H2,1H3
InChIKeyDKWAMRAELIOFMG-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.47
Rot. Bonds8

About 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol

1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol (PubChem CID 61223351) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
PubChem CID61223351
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cc1ccsc1)NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO2S/c1-12(8-13-6-7-21-11-13)18-9-15(19)10-20-16-4-2-14(17)3-5-16/h2-7,11-12,15,18-19H,8-10H2,1H3
InChIKeyDKWAMRAELIOFMG-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223540
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-hexoxy-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61222794
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol (CID 61223351) is 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol is CC(Cc1ccsc1)NCC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is DKWAMRAELIOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-12(8-13-6-7-21-11-13)18-9-15(19)10-20-16-4-2-14(17)3-5-16/h2-7,11-12,15,18-19H,8-10H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 370.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61223351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).