1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

C16H21NOS — CID 61336092

IUPAC1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cccc(OC)c2)s1
InChIInChI=1S/C16H21NOS/c1-4-15-8-9-16(19-15)12(2)17-11-13-6-5-7-14(10-13)18-3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyCQMBKTGVQPSPEE-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.17
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 61336092) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID61336092
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cccc(OC)c2)s1
InChIInChI=1S/C16H21NOS/c1-4-15-8-9-16(19-15)12(2)17-11-13-6-5-7-14(10-13)18-3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyCQMBKTGVQPSPEE-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 61336092) is 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is CCc1ccc(C(C)NCc2cccc(OC)c2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is CQMBKTGVQPSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-15-8-9-16(19-15)12(2)17-11-13-6-5-7-14(10-13)18-3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 61336092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).