N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

C15H17BrClNO2 — CID 62485295

IUPACN-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1ccc(Br)cc1Cl
InChIInChI=1S/C15H17BrClNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-4-3-12(16)7-13(14)17/h3-7,10,18H,8-9H2,1-2H3
InChIKeyRACQRCWQKBRZMB-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.77
Rot. Bonds6

About N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62485295) has the molecular formula C15H17BrClNO2 and a molecular weight of 358.66 g/mol. Its IUPAC name is N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62485295
Molecular FormulaC15H17BrClNO2
Molecular Weight358.66 g/mol
Exact Mass357.01
IUPAC NameN-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1ccc(Br)cc1Cl
InChIInChI=1S/C15H17BrClNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-4-3-12(16)7-13(14)17/h3-7,10,18H,8-9H2,1-2H3
InChIKeyRACQRCWQKBRZMB-UHFFFAOYSA-N
XLogP4.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 114676916
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 63496103
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62452669
N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 62485295) is N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COc1ccc(Br)cc1Cl.
What is the InChIKey of N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is RACQRCWQKBRZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-4-3-12(16)7-13(14)17/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 358.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62485295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).