3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C14H17NOS — CID 43196418

IUPAC3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C14H17NOS/c1-10-7-8-14(17-10)11(2)15-12-5-4-6-13(9-12)16-3/h4-9,11,15H,1-3H3
InChIKeyQGXWXPQKXVGYDQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.24
Rot. Bonds4

About 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43196418) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43196418
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C14H17NOS/c1-10-7-8-14(17-10)11(2)15-12-5-4-6-13(9-12)16-3/h4-9,11,15H,1-3H3
InChIKeyQGXWXPQKXVGYDQ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81376210
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
3-methoxy-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43106119
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 54898292
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43196418) is 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is COc1cccc(NC(C)c2ccc(C)s2)c1.
What is the InChIKey of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is QGXWXPQKXVGYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-7-8-14(17-10)11(2)15-12-5-4-6-13(9-12)16-3/h4-9,11,15H,1-3H3.
What are the key properties of 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 247.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43196418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).