N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine

C13H15Cl2NS2 — CID 65237651

IUPACN-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H15Cl2NS2/c1-4-16-12(9-6-11(14)18-13(9)15)10-5-7(2)8(3)17-10/h5-6,12,16H,4H2,1-3H3
InChIKeyKNAOXMHJQZCCHJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP5.43
Rot. Bonds4

About N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 65237651) has the molecular formula C13H15Cl2NS2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID65237651
Molecular FormulaC13H15Cl2NS2
Molecular Weight320.31 g/mol
Exact Mass319.00
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H15Cl2NS2/c1-4-16-12(9-6-11(14)18-13(9)15)10-5-7(2)8(3)17-10/h5-6,12,16H,4H2,1-3H3
InChIKeyKNAOXMHJQZCCHJ-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2-chloro-4,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115484092
N-[(4-chloro-2,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65239292
N-[(2-chloro-4-fluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81045516
N-[(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961101
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 63507972
N-[(2,5-dibromo-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81472935
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 65237651) is N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(C)c(C)s1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is KNAOXMHJQZCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NS2/c1-4-16-12(9-6-11(14)18-13(9)15)10-5-7(2)8(3)17-10/h5-6,12,16H,4H2,1-3H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 320.31 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 65237651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).