N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H15BrFNS — CID 79710933

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C14H15BrFNS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3
InChIKeyLCIBXGFCVDKONA-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.89
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 79710933) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID79710933
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C14H15BrFNS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3
InChIKeyLCIBXGFCVDKONA-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-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-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(3-bromo-5-nitrophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103350686
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106263333
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 79710933) is N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1cc(F)cc(Br)c1)c1cccs1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LCIBXGFCVDKONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-13(14-4-3-5-18-14)17-9-10-6-11(15)8-12(16)7-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79710933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).