N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine

C12H11ClFNS — CID 28581679

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClFNS/c13-12-6-5-11(16-12)8-15-7-9-1-3-10(14)4-2-9/h1-6,15H,7-8H2
InChIKeyOSEYQTLQXHWXSF-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.83
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 28581679) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID28581679
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClFNS/c13-12-6-5-11(16-12)8-15-7-9-1-3-10(14)4-2-9/h1-6,15H,7-8H2
InChIKeyOSEYQTLQXHWXSF-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 28581679) is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is OSEYQTLQXHWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-12-6-5-11(16-12)8-15-7-9-1-3-10(14)4-2-9/h1-6,15H,7-8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 255.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 28581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).