1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine

C15H18ClNOS — CID 55031304

IUPAC1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCc1ccsc1
InChIInChI=1S/C15H18ClNOS/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-9-12-6-7-19-10-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyDBPQNMHVCWJPKB-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.65
Rot. Bonds6

About 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine

1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 55031304) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
PubChem CID55031304
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCc1ccsc1
InChIInChI=1S/C15H18ClNOS/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-9-12-6-7-19-10-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyDBPQNMHVCWJPKB-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine (CID 55031304) is 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Cl)ccc1OCc1ccsc1.
What is the InChIKey of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is DBPQNMHVCWJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-9-12-6-7-19-10-12/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine?
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 295.83 g/mol, XLogP of 4.65, 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-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 55031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).