1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine

C13H11BrClF2NOS — CID 60956586

IUPAC1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccc(Cl)cc1CNCc1cc(Br)cs1
InChIInChI=1S/C13H11BrClF2NOS/c14-9-4-11(20-7-9)6-18-5-8-3-10(15)1-2-12(8)19-13(16)17/h1-4,7,13,18H,5-6H2
InChIKeyVMXCOTLLVBUZSY-UHFFFAOYSA-N
MW382.66 g/mol
LogP5.06
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine

1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine (PubChem CID 60956586) has the molecular formula C13H11BrClF2NOS and a molecular weight of 382.66 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
PubChem CID60956586
Molecular FormulaC13H11BrClF2NOS
Molecular Weight382.66 g/mol
Exact Mass380.94
IUPAC Name1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccc(Cl)cc1CNCc1cc(Br)cs1
InChIInChI=1S/C13H11BrClF2NOS/c14-9-4-11(20-7-9)6-18-5-8-3-10(15)1-2-12(8)19-13(16)17/h1-4,7,13,18H,5-6H2
InChIKeyVMXCOTLLVBUZSY-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 43425059
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 62349799
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(thian-4-yl)methanamine
CID 115625880
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933846
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methyl]propan-2-amine
CID 63501318

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine (CID 60956586) is 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine is FC(F)Oc1ccc(Cl)cc1CNCc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is VMXCOTLLVBUZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClF2NOS/c14-9-4-11(20-7-9)6-18-5-8-3-10(15)1-2-12(8)19-13(16)17/h1-4,7,13,18H,5-6H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 382.66 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 60956586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).