1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

C11H12ClNOS2 — CID 81122131

IUPAC1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cs1)c1sccc1Cl
InChIInChI=1S/C11H12ClNOS2/c1-13-10(11-8(12)3-4-15-11)9-5-7(14-2)6-16-9/h3-6,10,13H,1-2H3
InChIKeyNCWYNEUNZOJCEC-UHFFFAOYSA-N
MW273.81 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 81122131) has the molecular formula C11H12ClNOS2 and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID81122131
Molecular FormulaC11H12ClNOS2
Molecular Weight273.81 g/mol
Exact Mass273.00
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)cs1)c1sccc1Cl
InChIInChI=1S/C11H12ClNOS2/c1-13-10(11-8(12)3-4-15-11)9-5-7(14-2)6-16-9/h3-6,10,13H,1-2H3
InChIKeyNCWYNEUNZOJCEC-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105286186
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 80529095
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
[(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105327987
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (CID 81122131) is 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1cc(OC)cs1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is NCWYNEUNZOJCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS2/c1-13-10(11-8(12)3-4-15-11)9-5-7(14-2)6-16-9/h3-6,10,13H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 273.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81122131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).