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

C15H17Cl2NS — CID 43491967

IUPACN-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)sc1C
InChIInChI=1S/C15H17Cl2NS/c1-4-18-15(12-7-9(2)19-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3
InChIKeyJIRFMNXCPLRBQF-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.37
Rot. Bonds4

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

N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine (PubChem CID 43491967) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
PubChem CID43491967
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)sc1C
InChIInChI=1S/C15H17Cl2NS/c1-4-18-15(12-7-9(2)19-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3
InChIKeyJIRFMNXCPLRBQF-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 102763885
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(4-chloro-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 43496871
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 81110568
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185029
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine (CID 43491967) is N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The InChIKey is JIRFMNXCPLRBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-4-18-15(12-7-9(2)19-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 43491967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).