1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine

C15H17Cl2NS — CID 107312356

IUPAC1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2
InChIKeyLDWRRAQEFRDERD-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.95
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine

1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 107312356) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID107312356
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2
InChIKeyLDWRRAQEFRDERD-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-amine
CID 105179968
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
7-thiophen-2-ylheptan-3-amine
CID 64505571

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine (CID 107312356) is 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is LDWRRAQEFRDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2.
What are the key properties of 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine?
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 314.28 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 107312356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).