1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine

C16H21NOS — CID 43770306

IUPAC1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1cccs1
InChIInChI=1S/C16H21NOS/c1-11-7-8-14(15(10-11)18-4)12(2)17-13(3)16-6-5-9-19-16/h5-10,12-13,17H,1-4H3
InChIKeyHVCAZPWWEJXPOX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.48
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine

1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 43770306) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID43770306
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1cccs1
InChIInChI=1S/C16H21NOS/c1-11-7-8-14(15(10-11)18-4)12(2)17-13(3)16-6-5-9-19-16/h5-10,12-13,17H,1-4H3
InChIKeyHVCAZPWWEJXPOX-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
CID 43770232
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81399004
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine (CID 43770306) is 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine is COc1cc(C)ccc1C(C)NC(C)c1cccs1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is HVCAZPWWEJXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-7-8-14(15(10-11)18-4)12(2)17-13(3)16-6-5-9-19-16/h5-10,12-13,17H,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 43770306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).