N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine

C15H17BrFNO — CID 107593421

IUPACN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Br)c(F)cc2C)o1
InChIInChI=1S/C15H17BrFNO/c1-3-6-18-9-11-4-5-15(19-11)12-8-13(16)14(17)7-10(12)2/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeyLACXYCCEIMJBOU-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.66
Rot. Bonds5

About N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 107593421) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID107593421
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Br)c(F)cc2C)o1
InChIInChI=1S/C15H17BrFNO/c1-3-6-18-9-11-4-5-15(19-11)12-8-13(16)14(17)7-10(12)2/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeyLACXYCCEIMJBOU-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-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-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 107593416
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 64855525
N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888520
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-methylethanamine
CID 107593417
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine (CID 107593421) is N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(Br)c(F)cc2C)o1.
What is the InChIKey of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is LACXYCCEIMJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-6-18-9-11-4-5-15(19-11)12-8-13(16)14(17)7-10(12)2/h4-5,7-8,18H,3,6,9H2,1-2H3.
What are the key properties of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107593421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).