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

C15H16BrCl2NO2 — CID 107661111

IUPACN-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(Cl)c(Br)cc2Cl)o1
InChIInChI=1S/C15H16BrCl2NO2/c1-2-5-19-8-10-3-4-11(21-10)9-20-15-7-13(17)12(16)6-14(15)18/h3-4,6-7,19H,2,5,8-9H2,1H3
InChIKeyOZNSABYHWOXTTM-UHFFFAOYSA-N
MW393.11 g/mol
LogP5.43
Rot. Bonds7

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

N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 107661111) has the molecular formula C15H16BrCl2NO2 and a molecular weight of 393.11 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID107661111
Molecular FormulaC15H16BrCl2NO2
Molecular Weight393.11 g/mol
Exact Mass390.97
IUPAC NameN-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(Cl)c(Br)cc2Cl)o1
InChIInChI=1S/C15H16BrCl2NO2/c1-2-5-19-8-10-3-4-11(21-10)9-20-15-7-13(17)12(16)6-14(15)18/h3-4,6-7,19H,2,5,8-9H2,1H3
InChIKeyOZNSABYHWOXTTM-UHFFFAOYSA-N
XLogP5.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.11
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]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-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63491815
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753
N-[[2-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 107660992
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107
1-(4-bromo-2,5-dichlorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 107657502
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107661048

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 107661111) is N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COc2cc(Cl)c(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is OZNSABYHWOXTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2NO2/c1-2-5-19-8-10-3-4-11(21-10)9-20-15-7-13(17)12(16)6-14(15)18/h3-4,6-7,19H,2,5,8-9H2,1H3.
What are the key properties of N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 393.11 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107661111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).