2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine

C14H16ClNO2S — CID 62338444

IUPAC2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OC(CN)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNO2S/c1-2-17-10-4-3-5-11(8-10)18-12(9-16)13-6-7-14(15)19-13/h3-8,12H,2,9,16H2,1H3
InChIKeyOUAYKUQXDMDETI-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.88
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine

2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine (PubChem CID 62338444) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
PubChem CID62338444
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
SMILESCCOc1cccc(OC(CN)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNO2S/c1-2-17-10-4-3-5-11(8-10)18-12(9-16)13-6-7-14(15)19-13/h3-8,12H,2,9,16H2,1H3
InChIKeyOUAYKUQXDMDETI-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenoxy)-2-(furan-2-yl)ethanamine
CID 55060996
2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine
CID 107663951
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 61438444
2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103486985
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(3-ethoxyphenyl)methanetriamine
CID 142802456
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
2-(5-bromothiophen-2-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanamine
CID 64602517

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine (CID 62338444) is 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine is CCOc1cccc(OC(CN)c2ccc(Cl)s2)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine?
The InChIKey is OUAYKUQXDMDETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-17-10-4-3-5-11(8-10)18-12(9-16)13-6-7-14(15)19-13/h3-8,12H,2,9,16H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine is sourced from PubChem (CID 62338444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).