1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C13H16ClNS2 — CID 103400647

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2scc(C)c2Cl)s1
InChIInChI=1S/C13H16ClNS2/c1-4-9-5-6-10(17-9)12(15-3)13-11(14)8(2)7-16-13/h5-7,12,15H,4H2,1-3H3
InChIKeyFHOXDVAKRUKQGU-UHFFFAOYSA-N
MW285.87 g/mol
LogP4.64
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 103400647) has the molecular formula C13H16ClNS2 and a molecular weight of 285.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID103400647
Molecular FormulaC13H16ClNS2
Molecular Weight285.87 g/mol
Exact Mass285.04
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2scc(C)c2Cl)s1
InChIInChI=1S/C13H16ClNS2/c1-4-9-5-6-10(17-9)12(15-3)13-11(14)8(2)7-16-13/h5-7,12,15H,4H2,1-3H3
InChIKeyFHOXDVAKRUKQGU-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841821
1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215380
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778
1-(3-chloro-4-methylthiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 103406780

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 103400647) is 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2scc(C)c2Cl)s1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is FHOXDVAKRUKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS2/c1-4-9-5-6-10(17-9)12(15-3)13-11(14)8(2)7-16-13/h5-7,12,15H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 285.87 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103400647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).