(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine

C14H17NOS — CID 28668693

IUPAC(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccs2)c1
InChIInChI=1S/C14H17NOS/c1-11(15-10-14-7-4-8-17-14)12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m1/s1
InChIKeyONUAAVVQBCAROY-LLVKDONJSA-N
MW247.36 g/mol
LogP3.61
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine

(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 28668693) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID28668693
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccs2)c1
InChIInChI=1S/C14H17NOS/c1-11(15-10-14-7-4-8-17-14)12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m1/s1
InChIKeyONUAAVVQBCAROY-LLVKDONJSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102834326
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81376652
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide
CID 24955902
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 28668693) is (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine is COc1cccc([C@@H](C)NCc2cccs2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is ONUAAVVQBCAROY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(15-10-14-7-4-8-17-14)12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 28668693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).