2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

C13H13Cl2NOS — CID 54930333

IUPAC2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCc1cccs1
InChIInChI=1S/C13H13Cl2NOS/c14-10-6-9(3-4-16)13(12(15)7-10)17-8-11-2-1-5-18-11/h1-2,5-7H,3-4,8,16H2
InChIKeyDILVSECHTLZKLN-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.14
Rot. Bonds5

About 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 54930333) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID54930333
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCc1cccs1
InChIInChI=1S/C13H13Cl2NOS/c14-10-6-9(3-4-16)13(12(15)7-10)17-8-11-2-1-5-18-11/h1-2,5-7H,3-4,8,16H2
InChIKeyDILVSECHTLZKLN-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 54930553
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29225207
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 54930333) is 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCc1cccs1.
What is the InChIKey of 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is DILVSECHTLZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c14-10-6-9(3-4-16)13(12(15)7-10)17-8-11-2-1-5-18-11/h1-2,5-7H,3-4,8,16H2.
What are the key properties of 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 302.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).