2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine

C16H21NOS — CID 115842503

IUPAC2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C)c(OC)c2)s1
InChIInChI=1S/C16H21NOS/c1-4-13-7-8-14(19-13)10-15(17)12-6-5-11(2)16(9-12)18-3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyQVPSHAZITIYXSW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.87
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 115842503) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID115842503
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C)c(OC)c2)s1
InChIInChI=1S/C16H21NOS/c1-4-13-7-8-14(19-13)10-15(17)12-6-5-11(2)16(9-12)18-3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyQVPSHAZITIYXSW-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
CID 61080147
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
2-(5-ethylthiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716426
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115843147
(3R)-3-amino-3-(3-methoxy-4-methylphenyl)propanenitrile
CID 55270810
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 115842503) is 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine is CCc1ccc(CC(N)c2ccc(C)c(OC)c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is QVPSHAZITIYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-13-7-8-14(19-13)10-15(17)12-6-5-11(2)16(9-12)18-3/h5-9,15H,4,10,17H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115842503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).