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

C16H21NOS — CID 63640101

IUPAC1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCc1ccc(COc2cc(C)ccc2C(C)N)s1
InChIInChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-18-16-9-11(2)5-8-15(16)12(3)17/h5-9,12H,4,10,17H2,1-3H3
InChIKeyZWKVHHYQHQKQOL-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.22
Rot. Bonds5

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

1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 63640101) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
PubChem CID63640101
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCc1ccc(COc2cc(C)ccc2C(C)N)s1
InChIInChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-18-16-9-11(2)5-8-15(16)12(3)17/h5-9,12H,4,10,17H2,1-3H3
InChIKeyZWKVHHYQHQKQOL-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 78937365
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine (CID 63640101) is 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine is CCc1ccc(COc2cc(C)ccc2C(C)N)s1.
What is the InChIKey of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is ZWKVHHYQHQKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-18-16-9-11(2)5-8-15(16)12(3)17/h5-9,12H,4,10,17H2,1-3H3.
What are the key properties of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine?
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 63640101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).