2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

C17H22ClNS — CID 106867922

IUPAC2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1sccc1CC
InChIInChI=1S/C17H22ClNS/c1-4-13-8-9-20-17(13)16(19-5-2)11-14-7-6-12(3)10-15(14)18/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyOKQJWACJKDSNRL-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.17
Rot. Bonds6

About 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 106867922) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID106867922
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1sccc1CC
InChIInChI=1S/C17H22ClNS/c1-4-13-8-9-20-17(13)16(19-5-2)11-14-7-6-12(3)10-15(14)18/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyOKQJWACJKDSNRL-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 106867932
[2-(2-chloro-4-methylphenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 106868593
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
CID 106868592
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106866129
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (CID 106867922) is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(C)cc1Cl)c1sccc1CC.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is OKQJWACJKDSNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-4-13-8-9-20-17(13)16(19-5-2)11-14-7-6-12(3)10-15(14)18/h6-10,16,19H,4-5,11H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 307.89 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 106867922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).