N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine

C14H17NOS — CID 43489158

IUPACN-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1ccsc1
InChIInChI=1S/C14H17NOS/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-10,14-15H,3H2,1-2H3
InChIKeyIVXIMIGJICAEOP-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.46
Rot. Bonds5

About N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 43489158) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID43489158
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1ccsc1
InChIInChI=1S/C14H17NOS/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-10,14-15H,3H2,1-2H3
InChIKeyIVXIMIGJICAEOP-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine (CID 43489158) is N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccc(OC)cc1)c1ccsc1.
What is the InChIKey of N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is IVXIMIGJICAEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-15-14(12-8-9-17-10-12)11-4-6-13(16-2)7-5-11/h4-10,14-15H,3H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 43489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).