2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine

C12H10BrClF2N2OS — CID 66386541

IUPAC2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C12H10BrClF2N2OS/c13-7-3-6(14)4-9(11(7)19-12(15)16)18-5-10-8(17)1-2-20-10/h1-4,12,18H,5,17H2
InChIKeyMBBKHIULSMQYMW-UHFFFAOYSA-N
MW383.65 g/mol
LogP4.96
Rot. Bonds5

About 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine

2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine (PubChem CID 66386541) has the molecular formula C12H10BrClF2N2OS and a molecular weight of 383.65 g/mol. Its IUPAC name is 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine
PubChem CID66386541
Molecular FormulaC12H10BrClF2N2OS
Molecular Weight383.65 g/mol
Exact Mass381.94
IUPAC Name2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C12H10BrClF2N2OS/c13-7-3-6(14)4-9(11(7)19-12(15)16)18-5-10-8(17)1-2-20-10/h1-4,12,18H,5,17H2
InChIKeyMBBKHIULSMQYMW-UHFFFAOYSA-N
XLogP4.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.65
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-2-(difluoromethoxy)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43691103
2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
CID 66384918
2-N-[(3-bromothiophen-2-yl)methyl]-4-chlorobenzene-1,2-diamine
CID 115469151
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66134194
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
3-bromo-5-chloro-2-(difluoromethoxy)-N-hexylaniline
CID 43691032
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62357422
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
CID 66385925
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine (CID 66386541) is 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine is Nc1ccsc1CNc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine?
The InChIKey is MBBKHIULSMQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClF2N2OS/c13-7-3-6(14)4-9(11(7)19-12(15)16)18-5-10-8(17)1-2-20-10/h1-4,12,18H,5,17H2.
What are the key properties of 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine?
2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine has a molecular weight of 383.65 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-chloro-2-(difluoromethoxy)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).