1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine

C15H18ClNO3S — CID 80528928

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1OC)c1sccc1Cl
InChIInChI=1S/C15H18ClNO3S/c1-17-12(15-10(16)7-8-21-15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12,17H,1-4H3
InChIKeyMMSOYEIFBXJPBI-UHFFFAOYSA-N
MW327.83 g/mol
LogP3.74
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 80528928) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID80528928
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1OC)c1sccc1Cl
InChIInChI=1S/C15H18ClNO3S/c1-17-12(15-10(16)7-8-21-15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12,17H,1-4H3
InChIKeyMMSOYEIFBXJPBI-UHFFFAOYSA-N
XLogP3.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 80529095
1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436227
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 80529098
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79988638

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine (CID 80528928) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine is CNC(c1ccc(OC)c(OC)c1OC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is MMSOYEIFBXJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-17-12(15-10(16)7-8-21-15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12,17H,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 327.83 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 80528928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).