[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine

C13H14ClNOS — CID 112607618

IUPAC[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCCc1ccsc1
InChIInChI=1S/C13H14ClNOS/c14-12-3-1-2-11(8-15)13(12)16-6-4-10-5-7-17-9-10/h1-3,5,7,9H,4,6,8,15H2
InChIKeyWYPJCJAMEROTOG-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.48
Rot. Bonds5

About [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine

[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine (PubChem CID 112607618) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
PubChem CID112607618
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCCc1ccsc1
InChIInChI=1S/C13H14ClNOS/c14-12-3-1-2-11(8-15)13(12)16-6-4-10-5-7-17-9-10/h1-3,5,7,9H,4,6,8,15H2
InChIKeyWYPJCJAMEROTOG-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 115954535
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
3-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]thiophene
CID 112614183
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 107739555
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
3-[2-(2-ethylphenoxy)ethyl]thiophene
CID 64764009

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine (CID 112607618) is [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine is NCc1cccc(Cl)c1OCCc1ccsc1.
What is the InChIKey of [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine?
The InChIKey is WYPJCJAMEROTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-12-3-1-2-11(8-15)13(12)16-6-4-10-5-7-17-9-10/h1-3,5,7,9H,4,6,8,15H2.
What are the key properties of [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine?
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 112607618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).