1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine

C15H18ClNS — CID 55162373

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-3-17-15(8-12-6-7-18-10-12)13-5-4-11(2)14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyIMDCDWRGYXQRPR-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.60
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine

1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 55162373) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID55162373
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-3-17-15(8-12-6-7-18-10-12)13-5-4-11(2)14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyIMDCDWRGYXQRPR-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
[1-(4-chloro-3-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297731
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 55162373) is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is IMDCDWRGYXQRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-17-15(8-12-6-7-18-10-12)13-5-4-11(2)14(16)9-13/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 55162373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).