[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine

C16H21NO2S — CID 60879995

IUPAC[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1ccc(CC)s1
InChIInChI=1S/C16H21NO2S/c1-3-13-6-7-14(20-13)11-19-15-8-5-12(10-17)9-16(15)18-4-2/h5-9H,3-4,10-11,17H2,1-2H3
InChIKeyNJOLTFRNHMJWRS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.75
Rot. Bonds7

About [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine

[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine (PubChem CID 60879995) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
PubChem CID60879995
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1ccc(CC)s1
InChIInChI=1S/C16H21NO2S/c1-3-13-6-7-14(20-13)11-19-15-8-5-12(10-17)9-16(15)18-4-2/h5-9H,3-4,10-11,17H2,1-2H3
InChIKeyNJOLTFRNHMJWRS-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 78937365
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine (CID 60879995) is [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine is CCOc1cc(CN)ccc1OCc1ccc(CC)s1.
What is the InChIKey of [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine?
The InChIKey is NJOLTFRNHMJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-13-6-7-14(20-13)11-19-15-8-5-12(10-17)9-16(15)18-4-2/h5-9H,3-4,10-11,17H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine?
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).