N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C14H15BrFNS — CID 54953234

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNS/c1-10(6-11-4-5-18-9-11)17-8-12-2-3-13(16)7-14(12)15/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyLWGGSHZMEHVHBV-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.37
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 54953234) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID54953234
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNS/c1-10(6-11-4-5-18-9-11)17-8-12-2-3-13(16)7-14(12)15/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyLWGGSHZMEHVHBV-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine 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

N-[(2-bromo-4-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474161
N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65323547
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222636
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105136708
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
3-chloro-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzonitrile
CID 102664253
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 54953234) is N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is LWGGSHZMEHVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-10(6-11-4-5-18-9-11)17-8-12-2-3-13(16)7-14(12)15/h2-5,7,9-10,17H,6,8H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 54953234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).