2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

C15H17Cl2NS — CID 79988271

IUPAC2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1sccc1C
InChIInChI=1S/C15H17Cl2NS/c1-3-18-14(15-10(2)7-8-19-15)9-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyRZFBQCSKMDPADM-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.26
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79988271) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79988271
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1sccc1C
InChIInChI=1S/C15H17Cl2NS/c1-3-18-14(15-10(2)7-8-19-15)9-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyRZFBQCSKMDPADM-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115844450
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (CID 79988271) is 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1sccc1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is RZFBQCSKMDPADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-18-14(15-10(2)7-8-19-15)9-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79988271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).