1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

C15H17Cl2NO2S — CID 103401428

IUPAC1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1OC)c1scc(C)c1Cl
InChIInChI=1S/C15H17Cl2NO2S/c1-8-7-21-15(11(8)16)13(18-2)9-5-6-10(19-3)12(17)14(9)20-4/h5-7,13,18H,1-4H3
InChIKeyGIWIOBVWBFPGIJ-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.69
Rot. Bonds5

About 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 103401428) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID103401428
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Name1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1OC)c1scc(C)c1Cl
InChIInChI=1S/C15H17Cl2NO2S/c1-8-7-21-15(11(8)16)13(18-2)9-5-6-10(19-3)12(17)14(9)20-4/h5-7,13,18H,1-4H3
InChIKeyGIWIOBVWBFPGIJ-UHFFFAOYSA-N
XLogP4.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103404478
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103400975
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
1-(3-chloro-4-methylthiophen-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 103407509
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (CID 103401428) is 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(OC)c(Cl)c1OC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is GIWIOBVWBFPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2S/c1-8-7-21-15(11(8)16)13(18-2)9-5-6-10(19-3)12(17)14(9)20-4/h5-7,13,18H,1-4H3.
What are the key properties of 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 346.28 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103401428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).