1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

C14H15ClFNS — CID 43492060

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3
InChIKeyRHIOOIGACXYVPW-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.43
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 43492060) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID43492060
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3
InChIKeyRHIOOIGACXYVPW-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 43492060) is 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is RHIOOIGACXYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).