N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine

C13H12Cl3NS — CID 43492083

IUPACN-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl3NS/c1-2-17-13(11-3-4-12(16)18-11)8-5-9(14)7-10(15)6-8/h3-7,13,17H,2H2,1H3
InChIKeyBQNMUMOKHHIJDQ-UHFFFAOYSA-N
MW320.67 g/mol
LogP5.41
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine

N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine (PubChem CID 43492083) has the molecular formula C13H12Cl3NS and a molecular weight of 320.67 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
PubChem CID43492083
Molecular FormulaC13H12Cl3NS
Molecular Weight320.67 g/mol
Exact Mass318.98
IUPAC NameN-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl3NS/c1-2-17-13(11-3-4-12(16)18-11)8-5-9(14)7-10(15)6-8/h3-7,13,17H,2H2,1H3
InChIKeyBQNMUMOKHHIJDQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.67
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(4-butan-2-ylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 63507930
N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81323789
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105173432

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine (CID 43492083) is N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is BQNMUMOKHHIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NS/c1-2-17-13(11-3-4-12(16)18-11)8-5-9(14)7-10(15)6-8/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 320.67 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).