2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine

C11H10BrClN2S — CID 66384918

IUPAC2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2S/c12-7-1-2-10(8(13)5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeyYKPRABDWTWSPOU-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.36
Rot. Bonds3

About 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine

2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine (PubChem CID 66384918) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
PubChem CID66384918
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2S/c12-7-1-2-10(8(13)5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeyYKPRABDWTWSPOU-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]-3-chlorobenzonitrile
CID 107807636
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-4-methylaniline
CID 63488835
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
CID 66385925
2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine
CID 66386541
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-N-[(3-bromothiophen-2-yl)methyl]-4-chlorobenzene-1,2-diamine
CID 115469151

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine (CID 66384918) is 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine?
The InChIKey is YKPRABDWTWSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c12-7-1-2-10(8(13)5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2.
What are the key properties of 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine?
2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine has a molecular weight of 317.64 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66384918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).