2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine

C13H13ClFNS — CID 113223446

IUPAC2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-12(17-13)7-8-16-9-10-1-3-11(15)4-2-10/h1-6,16H,7-9H2
InChIKeySYAVKKSUKBGQPS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.87
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine

2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 113223446) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID113223446
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-12(17-13)7-8-16-9-10-1-3-11(15)4-2-10/h1-6,16H,7-9H2
InChIKeySYAVKKSUKBGQPS-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 103617197
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
N-[(4-bromo-2-fluorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 106042182
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
N-[(2-bromo-5-chlorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 114139873
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910
2-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115633678
2-(5-chlorothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103641324
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 113223446) is 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine is Fc1ccc(CNCCc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is SYAVKKSUKBGQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-13-6-5-12(17-13)7-8-16-9-10-1-3-11(15)4-2-10/h1-6,16H,7-9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.87, 5 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)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 113223446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).