1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine

C10H10ClNS2 — CID 80528883

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1sccc1Cl
InChIInChI=1S/C10H10ClNS2/c1-12-9(8-3-2-5-13-8)10-7(11)4-6-14-10/h2-6,9,12H,1H3
InChIKeyMVRNMQRFHYRAQG-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 80528883) has the molecular formula C10H10ClNS2 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID80528883
Molecular FormulaC10H10ClNS2
Molecular Weight243.78 g/mol
Exact Mass242.99
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1sccc1Cl
InChIInChI=1S/C10H10ClNS2/c1-12-9(8-3-2-5-13-8)10-7(11)4-6-14-10/h2-6,9,12H,1H3
InChIKeyMVRNMQRFHYRAQG-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 107360106
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 80529098
1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 80528884
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 80528964
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 107361879
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(4-bromo-3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 81291392
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 107359992

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine (CID 80528883) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is MVRNMQRFHYRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS2/c1-12-9(8-3-2-5-13-8)10-7(11)4-6-14-10/h2-6,9,12H,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 243.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 80528883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).