N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine

C11H9ClFNS — CID 66351470

IUPACN-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cccc(Cl)c1CNc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-10-2-1-3-11(13)9(10)6-14-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyGROGQEIQOFIUPS-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine

N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine (PubChem CID 66351470) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
PubChem CID66351470
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cccc(Cl)c1CNc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-10-2-1-3-11(13)9(10)6-14-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyGROGQEIQOFIUPS-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
CID 112652146
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
1-chloro-3-fluoro-2-[[3-(sulfamoylamino)anilino]methyl]benzene
CID 43742045
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine (CID 66351470) is N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine is Fc1cccc(Cl)c1CNc1ccsc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine?
The InChIKey is GROGQEIQOFIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-10-2-1-3-11(13)9(10)6-14-8-4-5-15-7-8/h1-5,7,14H,6H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine?
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine has a molecular weight of 241.72 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66351470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).