1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

C14H15Cl2NS — CID 43382000

IUPAC1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15Cl2NS/c1-9(11-3-5-12(15)6-4-11)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3
InChIKeyOQKMNBFLIUUNMG-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.47
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (PubChem CID 43382000) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
PubChem CID43382000
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15Cl2NS/c1-9(11-3-5-12(15)6-4-11)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3
InChIKeyOQKMNBFLIUUNMG-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

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (CID 43382000) is 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The InChIKey is OQKMNBFLIUUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9(11-3-5-12(15)6-4-11)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine 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 1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43382000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).