N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine

C15H17Cl2NOS — CID 107361780

IUPACN-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(Cl)c1)c1sccc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-2-7-18-14(15-13(17)6-8-20-15)10-19-12-5-3-4-11(16)9-12/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyWWUKEIBZEFXMQC-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.17
Rot. Bonds7

About N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine

N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 107361780) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
PubChem CID107361780
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC NameN-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(Cl)c1)c1sccc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-2-7-18-14(15-13(17)6-8-20-15)10-19-12-5-3-4-11(16)9-12/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyWWUKEIBZEFXMQC-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 107359682
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 105147847
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine (CID 107361780) is N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine is CCCNC(COc1cccc(Cl)c1)c1sccc1Cl.
What is the InChIKey of N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is WWUKEIBZEFXMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-2-7-18-14(15-13(17)6-8-20-15)10-19-12-5-3-4-11(16)9-12/h3-6,8-9,14,18H,2,7,10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 330.28 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107361780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).