[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol

C15H18BrNO2S — CID 60980477

IUPAC[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC(C)c2sccc2Br)cc1CO
InChIInChI=1S/C15H18BrNO2S/c1-3-19-14-5-4-12(8-11(14)9-18)17-10(2)15-13(16)6-7-20-15/h4-8,10,17-18H,3,9H2,1-2H3
InChIKeyJUFQNHLTEMMYBB-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.57
Rot. Bonds6

About [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol

[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol (PubChem CID 60980477) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
PubChem CID60980477
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC(C)c2sccc2Br)cc1CO
InChIInChI=1S/C15H18BrNO2S/c1-3-19-14-5-4-12(8-11(14)9-18)17-10(2)15-13(16)6-7-20-15/h4-8,10,17-18H,3,9H2,1-2H3
InChIKeyJUFQNHLTEMMYBB-UHFFFAOYSA-N
XLogP4.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
CID 43771069
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026
2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
CID 43789468
4-N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191782
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol (CID 60980477) is [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NC(C)c2sccc2Br)cc1CO.
What is the InChIKey of [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol?
The InChIKey is JUFQNHLTEMMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-3-19-14-5-4-12(8-11(14)9-18)17-10(2)15-13(16)6-7-20-15/h4-8,10,17-18H,3,9H2,1-2H3.
What are the key properties of [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol?
[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol has a molecular weight of 356.29 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 60980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).