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

C16H19BrClNO2 — CID 63496647

IUPACN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C16H19BrClNO2/c1-11(2)8-19-9-13-4-5-14(21-13)10-20-16-6-3-12(17)7-15(16)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeySJFINYQUBJOVLK-UHFFFAOYSA-N
MW372.69 g/mol
LogP5.02
Rot. Bonds7

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

N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63496647) has the molecular formula C16H19BrClNO2 and a molecular weight of 372.69 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63496647
Molecular FormulaC16H19BrClNO2
Molecular Weight372.69 g/mol
Exact Mass371.03
IUPAC NameN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C16H19BrClNO2/c1-11(2)8-19-9-13-4-5-14(21-13)10-20-16-6-3-12(17)7-15(16)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeySJFINYQUBJOVLK-UHFFFAOYSA-N
XLogP5.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.69
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63486006
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 65200963
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
N-[[5-[(4-bromo-2,5-dichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 107661111
N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438424
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 63496647) is N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SJFINYQUBJOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO2/c1-11(2)8-19-9-13-4-5-14(21-13)10-20-16-6-3-12(17)7-15(16)18/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 372.69 g/mol, XLogP of 5.02, 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-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63496647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).