(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine

C15H19NOS — CID 55190446

IUPAC(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2cccc([C@@H](C)N)c2)s1
InChIInChI=1S/C15H19NOS/c1-3-14-7-8-15(18-14)10-17-13-6-4-5-12(9-13)11(2)16/h4-9,11H,3,10,16H2,1-2H3/t11-/m1/s1
InChIKeyUPOMJTWSOWUFSG-LLVKDONJSA-N
MW261.39 g/mol
LogP3.91
Rot. Bonds5

About (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine (PubChem CID 55190446) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
PubChem CID55190446
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2cccc([C@@H](C)N)c2)s1
InChIInChI=1S/C15H19NOS/c1-3-14-7-8-15(18-14)10-17-13-6-4-5-12(9-13)11(2)16/h4-9,11H,3,10,16H2,1-2H3/t11-/m1/s1
InChIKeyUPOMJTWSOWUFSG-LLVKDONJSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine (CID 55190446) is (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine is CCc1ccc(COc2cccc([C@@H](C)N)c2)s1.
What is the InChIKey of (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is UPOMJTWSOWUFSG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-14-7-8-15(18-14)10-17-13-6-4-5-12(9-13)11(2)16/h4-9,11H,3,10,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 55190446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).