3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline

C14H17NO2S — CID 43192817

IUPAC3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1cc(NC(C)c2cccs2)cc(OC)c1
InChIInChI=1S/C14H17NO2S/c1-10(14-5-4-6-18-14)15-11-7-12(16-2)9-13(8-11)17-3/h4-10,15H,1-3H3
InChIKeyHKGSFLLCCYJCPR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.94
Rot. Bonds5

About 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline

3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43192817) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43192817
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1cc(NC(C)c2cccs2)cc(OC)c1
InChIInChI=1S/C14H17NO2S/c1-10(14-5-4-6-18-14)15-11-7-12(16-2)9-13(8-11)17-3/h4-10,15H,1-3H3
InChIKeyHKGSFLLCCYJCPR-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
3-nitro-5-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 80732659
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
6-methylsulfanyl-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 115929489
5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79034312
6-(2-methoxyethoxy)-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43688399
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 43727172

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline (CID 43192817) is 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline is COc1cc(NC(C)c2cccs2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is HKGSFLLCCYJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(14-5-4-6-18-14)15-11-7-12(16-2)9-13(8-11)17-3/h4-10,15H,1-3H3.
What are the key properties of 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline?
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 263.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43192817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).