N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C16H19BrFNO2 — CID 65200963

IUPACN-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Br)c(F)c2)o1
InChIInChI=1S/C16H19BrFNO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyQKNVBURQNJEGLZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65200963) has the molecular formula C16H19BrFNO2 and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65200963
Molecular FormulaC16H19BrFNO2
Molecular Weight356.24 g/mol
Exact Mass355.06
IUPAC NameN-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Br)c(F)c2)o1
InChIInChI=1S/C16H19BrFNO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyQKNVBURQNJEGLZ-UHFFFAOYSA-N
XLogP4.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-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-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 83138171
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 17056318
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
3-(4-bromo-3-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 65201278

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 65200963) is N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(COc2ccc(Br)c(F)c2)o1.
What is the InChIKey of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QKNVBURQNJEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 356.24 g/mol, XLogP of 4.51, 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-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65200963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).