N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine

C13H15NOS — CID 66350177

IUPACN-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1ccc(CCNc2ccsc2)cc1
InChIInChI=1S/C13H15NOS/c1-15-13-4-2-11(3-5-13)6-8-14-12-7-9-16-10-12/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyFXVGASLMLGTZIY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine

N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine (PubChem CID 66350177) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
PubChem CID66350177
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1ccc(CCNc2ccsc2)cc1
InChIInChI=1S/C13H15NOS/c1-15-13-4-2-11(3-5-13)6-8-14-12-7-9-16-10-12/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyFXVGASLMLGTZIY-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-(2-pyridin-4-ylethyl)thiophen-3-amine
CID 66351702
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 71804806
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine (CID 66350177) is N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine is COc1ccc(CCNc2ccsc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine?
The InChIKey is FXVGASLMLGTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-15-13-4-2-11(3-5-13)6-8-14-12-7-9-16-10-12/h2-5,7,9-10,14H,6,8H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine?
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine has a molecular weight of 233.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine is sourced from PubChem (CID 66350177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).