1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine

C14H17NOS — CID 61080147

IUPAC1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1cc(C(N)Cc2cccs2)ccc1C
InChIInChI=1S/C14H17NOS/c1-10-5-6-11(8-14(10)16-2)13(15)9-12-4-3-7-17-12/h3-8,13H,9,15H2,1-2H3
InChIKeyJFJDQDWTFXBSDX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine

1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine (PubChem CID 61080147) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
PubChem CID61080147
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1cc(C(N)Cc2cccs2)ccc1C
InChIInChI=1S/C14H17NOS/c1-10-5-6-11(8-14(10)16-2)13(15)9-12-4-3-7-17-12/h3-8,13H,9,15H2,1-2H3
InChIKeyJFJDQDWTFXBSDX-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620
(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
CID 55270810
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine (CID 61080147) is 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine is COc1cc(C(N)Cc2cccs2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is JFJDQDWTFXBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-5-6-11(8-14(10)16-2)13(15)9-12-4-3-7-17-12/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine?
1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61080147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).