1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C14H17NOS — CID 834212

IUPAC1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3
InChIKeyMYYVAIHWPYPDSV-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834212) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834212
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3
InChIKeyMYYVAIHWPYPDSV-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
CID 17213242
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272191
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 834212) is 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is CCOc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is MYYVAIHWPYPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).