1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine

C14H15ClFNS — CID 81453728

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNS/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3
InChIKeyPXHLDYINZBUAJF-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 81453728) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID81453728
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNS/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3
InChIKeyPXHLDYINZBUAJF-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

N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 81453728) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is PXHLDYINZBUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-17-13(9-10-5-4-8-18-10)11-6-3-7-12(16)14(11)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine 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-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 81453728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).