1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C14H17NO2S — CID 43481960

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17NO2S/c1-15-14(13-5-4-8-18-13)11-9-10(16-2)6-7-12(11)17-3/h4-9,14-15H,1-3H3
InChIKeyHZKPGMHWDGOHNX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43481960) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43481960
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17NO2S/c1-15-14(13-5-4-8-18-13)11-9-10(16-2)6-7-12(11)17-3/h4-9,14-15H,1-3H3
InChIKeyHZKPGMHWDGOHNX-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
1-(3,5-dichloro-2-pyridinyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 79783522
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
N-(dithiophen-2-ylmethyl)-4-methoxy-2-methylaniline
CID 62871322

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43481960) is 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is HZKPGMHWDGOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-14(13-5-4-8-18-13)11-9-10(16-2)6-7-12(11)17-3/h4-9,14-15H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43481960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).