N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine

C14H15Cl2NS — CID 55033046

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)c1ccsc1
InChIInChI=1S/C14H15Cl2NS/c1-9(11-5-6-18-8-11)17-10(2)13-4-3-12(15)7-14(13)16/h3-10,17H,1-2H3
InChIKeyIVVJMQVAHYRBMY-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.47
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine

N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 55033046) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID55033046
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccc(Cl)cc1Cl)c1ccsc1
InChIInChI=1S/C14H15Cl2NS/c1-9(11-5-6-18-8-11)17-10(2)13-4-3-12(15)7-14(13)16/h3-10,17H,1-2H3
InChIKeyIVVJMQVAHYRBMY-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine (CID 55033046) is N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1ccc(Cl)cc1Cl)c1ccsc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is IVVJMQVAHYRBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9(11-5-6-18-8-11)17-10(2)13-4-3-12(15)7-14(13)16/h3-10,17H,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 300.25 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 55033046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).