N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

C14H17ClFNS — CID 3062020

IUPACN-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(F)cc1)c1cccs1.Cl
InChIInChI=1S/C14H16FNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H
InChIKeyWILCBUJIQCSRIS-UHFFFAOYSA-N
MW285.81 g/mol
LogP4.20
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062020) has the molecular formula C14H17ClFNS and a molecular weight of 285.81 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062020
Molecular FormulaC14H17ClFNS
Molecular Weight285.81 g/mol
Exact Mass285.08
IUPAC NameN-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(F)cc1)c1cccs1.Cl
InChIInChI=1S/C14H16FNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H
InChIKeyWILCBUJIQCSRIS-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine;hydrochloride
CID 16192672
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062020) is N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is CCNC(Cc1ccc(F)cc1)c1cccs1.Cl.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is WILCBUJIQCSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).