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

C14H15BrFNS — CID 107952963

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNS/c1-17-13(8-7-10-4-3-9-18-10)11-5-2-6-12(15)14(11)16/h2-6,9,13,17H,7-8H2,1H3
InChIKeyOFLQRPSKLXSODG-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

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

1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 107952963) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID107952963
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNS/c1-17-13(8-7-10-4-3-9-18-10)11-5-2-6-12(15)14(11)16/h2-6,9,13,17H,7-8H2,1H3
InChIKeyOFLQRPSKLXSODG-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-fluorophenyl)-N-methyl-3-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

1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
1-(3-bromo-2-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107952556
[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105308798

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 107952963) is 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OFLQRPSKLXSODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-17-13(8-7-10-4-3-9-18-10)11-5-2-6-12(15)14(11)16/h2-6,9,13,17H,7-8H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 107952963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).