N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine

C16H21NOS — CID 103777714

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOc1cccc(CCNC(C)c2sccc2C)c1
InChIInChI=1S/C16H21NOS/c1-12-8-10-19-16(12)13(2)17-9-7-14-5-4-6-15(11-14)18-3/h4-6,8,10-11,13,17H,7,9H2,1-3H3
InChIKeyMQJMCQYIWRNYBE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 103777714) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID103777714
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOc1cccc(CCNC(C)c2sccc2C)c1
InChIInChI=1S/C16H21NOS/c1-12-8-10-19-16(12)13(2)17-9-7-14-5-4-6-15(11-14)18-3/h4-6,8,10-11,13,17H,7,9H2,1-3H3
InChIKeyMQJMCQYIWRNYBE-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 90496752
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 103777714) is N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine is COc1cccc(CCNC(C)c2sccc2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is MQJMCQYIWRNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-8-10-19-16(12)13(2)17-9-7-14-5-4-6-15(11-14)18-3/h4-6,8,10-11,13,17H,7,9H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 103777714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).