N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine

C16H19Cl2NS — CID 43494394

IUPACN-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)s1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2NS/c1-3-10-19-16(14-9-8-11(4-2)20-14)12-6-5-7-13(17)15(12)18/h5-9,16,19H,3-4,10H2,1-2H3
InChIKeyQCFRYPRLIPNCGE-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.71
Rot. Bonds6

About N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine

N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43494394) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43494394
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC NameN-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)s1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2NS/c1-3-10-19-16(14-9-8-11(4-2)20-14)12-6-5-7-13(17)15(12)18/h5-9,16,19H,3-4,10H2,1-2H3
InChIKeyQCFRYPRLIPNCGE-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 107515364
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(3-chloro-4-iodophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 103220153
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105050309
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine (CID 43494394) is N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)s1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is QCFRYPRLIPNCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-3-10-19-16(14-9-8-11(4-2)20-14)12-6-5-7-13(17)15(12)18/h5-9,16,19H,3-4,10H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 328.31 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43494394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).