(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

C14H17NOS — CID 78939689

IUPAC(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)Cc1cccs1
InChIInChI=1S/C14H17NOS/c1-11(16)13-7-3-4-8-14(13)15(2)10-12-6-5-9-17-12/h3-9,11,16H,10H2,1-2H3/t11-/m1/s1
InChIKeyOGQJIALLHQJHQH-LLVKDONJSA-N
MW247.36 g/mol
LogP3.44
Rot. Bonds4

About (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 78939689) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
PubChem CID78939689
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)Cc1cccs1
InChIInChI=1S/C14H17NOS/c1-11(16)13-7-3-4-8-14(13)15(2)10-12-6-5-9-17-12/h3-9,11,16H,10H2,1-2H3/t11-/m1/s1
InChIKeyOGQJIALLHQJHQH-LLVKDONJSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 114059096
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
1-[4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 43527708
(1S)-1-[4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 78939622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (CID 78939689) is (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is C[C@@H](O)c1ccccc1N(C)Cc1cccs1.
What is the InChIKey of (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is OGQJIALLHQJHQH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(16)13-7-3-4-8-14(13)15(2)10-12-6-5-9-17-12/h3-9,11,16H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 247.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78939689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).