N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine

C13H15NO2S — CID 66351900

IUPACN-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1ccc(OC)c(CNc2ccsc2)c1
InChIInChI=1S/C13H15NO2S/c1-15-12-3-4-13(16-2)10(7-12)8-14-11-5-6-17-9-11/h3-7,9,14H,8H2,1-2H3
InChIKeyQJUSJLLDUULSHH-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.38
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine

N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine (PubChem CID 66351900) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
PubChem CID66351900
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1ccc(OC)c(CNc2ccsc2)c1
InChIInChI=1S/C13H15NO2S/c1-15-12-3-4-13(16-2)10(7-12)8-14-11-5-6-17-9-11/h3-7,9,14H,8H2,1-2H3
InChIKeyQJUSJLLDUULSHH-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,5-dimethoxyphenyl)methyl]-2-ethyl-6-methylaniline
CID 60924688

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine (CID 66351900) is N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine is COc1ccc(OC)c(CNc2ccsc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine?
The InChIKey is QJUSJLLDUULSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-15-12-3-4-13(16-2)10(7-12)8-14-11-5-6-17-9-11/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine?
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine has a molecular weight of 249.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66351900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).