1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine

C15H18ClNOS — CID 63775283

IUPAC1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-11(17-2)14-10-12(16)5-6-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyXNDKIZLRWQMWKV-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.30
Rot. Bonds6

About 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine

1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine (PubChem CID 63775283) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
PubChem CID63775283
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-11(17-2)14-10-12(16)5-6-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyXNDKIZLRWQMWKV-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 ≤ 500295.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999718
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine (CID 63775283) is 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCCc1cccs1.
What is the InChIKey of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine?
The InChIKey is XNDKIZLRWQMWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11(17-2)14-10-12(16)5-6-15(14)18-8-7-13-4-3-9-19-13/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine?
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine has a molecular weight of 295.83 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-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63775283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).