N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine

C13H13BrFNO — CID 54907341

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESFc1ccc(Br)c(CNCCc2ccco2)c1
InChIInChI=1S/C13H13BrFNO/c14-13-4-3-11(15)8-10(13)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyUKBNLAOVBJWPSJ-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.51
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 54907341) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID54907341
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESFc1ccc(Br)c(CNCCc2ccco2)c1
InChIInChI=1S/C13H13BrFNO/c14-13-4-3-11(15)8-10(13)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyUKBNLAOVBJWPSJ-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine 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-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
N-[(3-bromo-4-methylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 115875898
N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81110948
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
methyl 3-bromo-4-[[2-(furan-2-yl)ethylamino]methyl]benzoate
CID 102766549
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
6-[[2-(furan-2-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol
CID 55012877
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine (CID 54907341) is N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine is Fc1ccc(Br)c(CNCCc2ccco2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is UKBNLAOVBJWPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c14-13-4-3-11(15)8-10(13)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 298.15 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 54907341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).