2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine

C11H10ClFN2S — CID 66387522

IUPAC2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c12-8-5-7(1-2-9(8)13)15-6-11-10(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeyFRLLDSWSJRVRGQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.73
Rot. Bonds3

About 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine

2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine (PubChem CID 66387522) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
PubChem CID66387522
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c12-8-5-7(1-2-9(8)13)15-6-11-10(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeyFRLLDSWSJRVRGQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 961610
2-[(3-chloro-4-nitroanilino)methyl]thiophen-3-amine
CID 82864309
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
N-[(3-aminothiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 66385101

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine (CID 66387522) is 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine?
The InChIKey is FRLLDSWSJRVRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-8-5-7(1-2-9(8)13)15-6-11-10(14)3-4-16-11/h1-5,15H,6,14H2.
What are the key properties of 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine?
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine has a molecular weight of 256.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).