1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

C16H19Cl2NS — CID 63527812

IUPAC1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NS/c1-19-13(4-2-5-14-6-3-9-20-14)10-12-7-8-15(17)16(18)11-12/h3,6-9,11,13,19H,2,4-5,10H2,1H3
InChIKeyXICOPAUHTBSOHR-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.21
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 63527812) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
PubChem CID63527812
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NS/c1-19-13(4-2-5-14-6-3-9-20-14)10-12-7-8-15(17)16(18)11-12/h3,6-9,11,13,19H,2,4-5,10H2,1H3
InChIKeyXICOPAUHTBSOHR-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
N-methyl-1-(5-methyl-2-pyridinyl)-5-thiophen-2-ylpentan-2-amine
CID 66447519
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (CID 63527812) is 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is XICOPAUHTBSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-19-13(4-2-5-14-6-3-9-20-14)10-12-7-8-15(17)16(18)11-12/h3,6-9,11,13,19H,2,4-5,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 328.31 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 63527812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).