1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C15H17Cl2NS — CID 115857101

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NS/c1-2-18-14(7-6-11-8-9-19-10-11)12-4-3-5-13(16)15(12)17/h3-5,8-10,14,18H,2,6-7H2,1H3
InChIKeyILZSIVLQXQRHQN-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.34
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857101) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115857101
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NS/c1-2-18-14(7-6-11-8-9-19-10-11)12-4-3-5-13(16)15(12)17/h3-5,8-10,14,18H,2,6-7H2,1H3
InChIKeyILZSIVLQXQRHQN-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 115857101) is 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ILZSIVLQXQRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-2-18-14(7-6-11-8-9-19-10-11)12-4-3-5-13(16)15(12)17/h3-5,8-10,14,18H,2,6-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 314.28 g/mol, XLogP of 5.34, 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)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).