(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine

C14H17NOS — CID 81371445

IUPAC(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-11(15-9-12-7-8-17-10-12)13-3-5-14(16-2)6-4-13/h3-8,10-11,15H,9H2,1-2H3/t11-/m1/s1
InChIKeyYIDPURPICSRKIG-LLVKDONJSA-N
MW247.36 g/mol
LogP3.61
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine

(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 81371445) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID81371445
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-11(15-9-12-7-8-17-10-12)13-3-5-14(16-2)6-4-13/h3-8,10-11,15H,9H2,1-2H3/t11-/m1/s1
InChIKeyYIDPURPICSRKIG-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

(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027112
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
CID 75382758
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine (CID 81371445) is (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine is COc1ccc([C@@H](C)NCc2ccsc2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is YIDPURPICSRKIG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(15-9-12-7-8-17-10-12)13-3-5-14(16-2)6-4-13/h3-8,10-11,15H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-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-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 81371445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).