(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

C15H18BrNOS — CID 78940163

IUPAC(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCCN(Cc1cccs1)c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17(10-13-5-4-8-19-13)15-7-6-12(11(2)18)9-14(15)16/h4-9,11,18H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyYTVAMLMGBXOJDK-LLVKDONJSA-N
MW340.29 g/mol
LogP4.59
Rot. Bonds5

About (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 78940163) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
PubChem CID78940163
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCCN(Cc1cccs1)c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17(10-13-5-4-8-19-13)15-7-6-12(11(2)18)9-14(15)16/h4-9,11,18H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyYTVAMLMGBXOJDK-LLVKDONJSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
(1S)-1-[3-bromo-4-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 78940037
3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 82797609
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
(1S)-1-[3-chloro-4-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940291
(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
CID 55185186
(1R)-1-[3-bromo-4-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 63370802
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 79476608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (CID 78940163) is (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is CCN(Cc1cccs1)c1ccc([C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is YTVAMLMGBXOJDK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17(10-13-5-4-8-19-13)15-7-6-12(11(2)18)9-14(15)16/h4-9,11,18H,3,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 340.29 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).