1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine

C15H18ClNO2S — CID 65105134

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H18ClNO2S/c1-9-5-11(8-20-9)14(17-2)10-6-12(16)15(19-4)13(7-10)18-3/h5-8,14,17H,1-4H3
InChIKeyUOVWBBRJOSVXJV-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine

1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 65105134) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
PubChem CID65105134
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H18ClNO2S/c1-9-5-11(8-20-9)14(17-2)10-6-12(16)15(19-4)13(7-10)18-3/h5-8,14,17H,1-4H3
InChIKeyUOVWBBRJOSVXJV-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79988638
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 80529095
[(3-chloro-4,5-dimethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105204556
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991309
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105204625
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine (CID 65105134) is 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine is CNC(c1csc(C)c1)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is UOVWBBRJOSVXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-9-5-11(8-20-9)14(17-2)10-6-12(16)15(19-4)13(7-10)18-3/h5-8,14,17H,1-4H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 311.83 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 65105134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).