1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol

C19H18BrNO2S — CID 23647934

IUPAC1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C19H18BrNO2S/c20-15-10-19(24-13-15)17(22)12-21-11-14-6-4-5-9-18(14)23-16-7-2-1-3-8-16/h1-10,13,17,21-22H,11-12H2
InChIKeyJVMPJVROHTYUSG-UHFFFAOYSA-N
MW404.33 g/mol
LogP5.13
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol

1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol (PubChem CID 23647934) has the molecular formula C19H18BrNO2S and a molecular weight of 404.33 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol
PubChem CID23647934
Molecular FormulaC19H18BrNO2S
Molecular Weight404.33 g/mol
Exact Mass403.02
IUPAC Name1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C19H18BrNO2S/c20-15-10-19(24-13-15)17(22)12-21-11-14-6-4-5-9-18(14)23-16-7-2-1-3-8-16/h1-10,13,17,21-22H,11-12H2
InChIKeyJVMPJVROHTYUSG-UHFFFAOYSA-N
XLogP5.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.33
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol with MolForge

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Related Compounds

N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553106
(1S)-1-(4-bromothiophen-2-yl)-2-[[3-(methoxymethoxy)phenyl]methylamino]ethanol
CID 46893596
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107285197
1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046798
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol
CID 63652900

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol (CID 23647934) is 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol is OC(CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol?
The InChIKey is JVMPJVROHTYUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2S/c20-15-10-19(24-13-15)17(22)12-21-11-14-6-4-5-9-18(14)23-16-7-2-1-3-8-16/h1-10,13,17,21-22H,11-12H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol?
1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol has a molecular weight of 404.33 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).