(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine

C14H17NOS — CID 78947153

IUPAC(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2ccsc2)c1
InChIInChI=1S/C14H17NOS/c1-10-3-4-13(11(2)15)14(7-10)16-8-12-5-6-17-9-12/h3-7,9,11H,8,15H2,1-2H3/t11-/m0/s1
InChIKeyQRKVTLGYYXKUKG-NSHDSACASA-N
MW247.36 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine

(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine (PubChem CID 78947153) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
PubChem CID78947153
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2ccsc2)c1
InChIInChI=1S/C14H17NOS/c1-10-3-4-13(11(2)15)14(7-10)16-8-12-5-6-17-9-12/h3-7,9,11H,8,15H2,1-2H3/t11-/m0/s1
InChIKeyQRKVTLGYYXKUKG-NSHDSACASA-N
XLogP3.66
TPSA35.25 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 63066366
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine (CID 78947153) is (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCc2ccsc2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is QRKVTLGYYXKUKG-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-3-4-13(11(2)15)14(7-10)16-8-12-5-6-17-9-12/h3-7,9,11H,8,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 78947153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).