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

C12H11ClFNS — CID 28582643

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-12-6-5-10(16-12)8-15-7-9-3-1-2-4-11(9)14/h1-6,15H,7-8H2
InChIKeyQNOCJSPWDSCXHF-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.83
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 28582643) 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-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine
PubChem CID28582643
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-12-6-5-10(16-12)8-15-7-9-3-1-2-4-11(9)14/h1-6,15H,7-8H2
InChIKeyQNOCJSPWDSCXHF-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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine (CID 28582643) is N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine is Fc1ccccc1CNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is QNOCJSPWDSCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-12-6-5-10(16-12)8-15-7-9-3-1-2-4-11(9)14/h1-6,15H,7-8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-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-(2-fluorophenyl)methanamine is sourced from PubChem (CID 28582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).