1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C14H16ClNO2S — CID 43486329

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-16-14(13-5-4-6-19-13)9-7-11(17-2)12(18-3)8-10(9)15/h4-8,14,16H,1-3H3
InChIKeyAQIGMHLRYQHGJB-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43486329) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43486329
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-16-14(13-5-4-6-19-13)9-7-11(17-2)12(18-3)8-10(9)15/h4-8,14,16H,1-3H3
InChIKeyAQIGMHLRYQHGJB-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43486329) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is AQIGMHLRYQHGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-16-14(13-5-4-6-19-13)9-7-11(17-2)12(18-3)8-10(9)15/h4-8,14,16H,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43486329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).