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

C15H17Cl2NS — CID 63422918

IUPAC2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccc(Cl)cc2Cl)c(C)s1
InChIInChI=1S/C15H17Cl2NS/c1-10-7-13(11(2)19-10)9-18-6-5-12-3-4-14(16)8-15(12)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyWLXNGGSCNQJPOY-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.00
Rot. Bonds5

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

2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine (PubChem CID 63422918) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
PubChem CID63422918
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccc(Cl)cc2Cl)c(C)s1
InChIInChI=1S/C15H17Cl2NS/c1-10-7-13(11(2)19-10)9-18-6-5-12-3-4-14(16)8-15(12)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyWLXNGGSCNQJPOY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-(3-chloro-4-fluorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]methanamine
CID 62537761
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine (CID 63422918) is 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine is Cc1cc(CNCCc2ccc(Cl)cc2Cl)c(C)s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
The InChIKey is WLXNGGSCNQJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-10-7-13(11(2)19-10)9-18-6-5-12-3-4-14(16)8-15(12)17/h3-4,7-8,18H,5-6,9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 63422918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).