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

C15H18ClNOS — CID 105164504

IUPAC1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H18ClNOS/c1-3-17-14(8-11-6-7-19-10-11)12-4-5-13(16)15(9-12)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyHIESFXIKORGJIG-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.30
Rot. Bonds6

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

1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 105164504) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID105164504
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H18ClNOS/c1-3-17-14(8-11-6-7-19-10-11)12-4-5-13(16)15(9-12)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyHIESFXIKORGJIG-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
[1-(3-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297667
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105164508
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 105164504) is 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is HIESFXIKORGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-17-14(8-11-6-7-19-10-11)12-4-5-13(16)15(9-12)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105164504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).