2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine

C16H19ClFNS — CID 62515278

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Cl)s1)Cc1ccccc1F
InChIInChI=1S/C16H19ClFNS/c1-2-19-11-12(10-14-7-8-16(17)20-14)9-13-5-3-4-6-15(13)18/h3-8,12,19H,2,9-11H2,1H3
InChIKeyPWKTXNXHGMULLE-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.55
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine (PubChem CID 62515278) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
PubChem CID62515278
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Cl)s1)Cc1ccccc1F
InChIInChI=1S/C16H19ClFNS/c1-2-19-11-12(10-14-7-8-16(17)20-14)9-13-5-3-4-6-15(13)18/h3-8,12,19H,2,9-11H2,1H3
InChIKeyPWKTXNXHGMULLE-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine 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

4-[(4-Chlorothiophen-2-yl)-(4-fluorophenyl)methylidene]-1-methylpiperidine
CID 9927142
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
2-(4-Chlorophenyl)-N-ethyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062045
((5-(4-Chlorophenyl)thiophen-2-yl)methyl)(methyl)amine
CID 21936182
(2-Chloro-benzyl)-(5-methyl-thiophen-2-ylmethyl)-amine
CID 961442
4-[(4-Fluorophenyl)(4-methylthien-2-yl)methylene]piperidine
CID 11077042
2-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11492888
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11702083
1-Methyl-4-[(4-chloro-2-thienyl)-(4-fluorophenyl)]methylenepiperidine
CID 21704865
4-[[2-(5-Chlorothiophen-2-yl)-4-fluorophenyl]methylidene]piperidine
CID 21704872
4-[[2-(4,5-Dichlorothiophen-2-yl)-4-fluorophenyl]methylidene]-1-methylpiperidine
CID 21704878

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine (CID 62515278) is 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine is CCNCC(Cc1ccc(Cl)s1)Cc1ccccc1F.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is PWKTXNXHGMULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-2-19-11-12(10-14-7-8-16(17)20-14)9-13-5-3-4-6-15(13)18/h3-8,12,19H,2,9-11H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62515278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).