1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine

C17H21Cl2NS — CID 105151513

IUPAC1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2NS/c1-2-20-15(5-3-6-16-7-4-10-21-16)12-13-11-14(18)8-9-17(13)19/h4,7-11,15,20H,2-3,5-6,12H2,1H3
InChIKeyDBRWSIZKZDFCKH-UHFFFAOYSA-N
MW342.34 g/mol
LogP5.60
Rot. Bonds8

About 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine

1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105151513) has the molecular formula C17H21Cl2NS and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105151513
Molecular FormulaC17H21Cl2NS
Molecular Weight342.34 g/mol
Exact Mass341.08
IUPAC Name1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2NS/c1-2-20-15(5-3-6-16-7-4-10-21-16)12-13-11-14(18)8-9-17(13)19/h4,7-11,15,20H,2-3,5-6,12H2,1H3
InChIKeyDBRWSIZKZDFCKH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 62604361
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
CID 115863120
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine (CID 105151513) is 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine is CCNC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is DBRWSIZKZDFCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NS/c1-2-20-15(5-3-6-16-7-4-10-21-16)12-13-11-14(18)8-9-17(13)19/h4,7-11,15,20H,2-3,5-6,12H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine?
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 342.34 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105151513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).