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

C16H19BrClNO2 — CID 63496103

IUPACN-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccoc1COc1ccc(Br)cc1Cl
InChIInChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-11-6-7-20-15(11)10-21-14-5-4-12(17)8-13(14)18/h4-8,19H,9-10H2,1-3H3
InChIKeyKDRYUHGYCFMQNZ-UHFFFAOYSA-N
MW372.69 g/mol
LogP5.16
Rot. Bonds5

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

N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63496103) has the molecular formula C16H19BrClNO2 and a molecular weight of 372.69 g/mol. Its IUPAC name is N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63496103
Molecular FormulaC16H19BrClNO2
Molecular Weight372.69 g/mol
Exact Mass371.03
IUPAC NameN-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccoc1COc1ccc(Br)cc1Cl
InChIInChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-11-6-7-20-15(11)10-21-14-5-4-12(17)8-13(14)18/h4-8,19H,9-10H2,1-3H3
InChIKeyKDRYUHGYCFMQNZ-UHFFFAOYSA-N
XLogP5.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62486962
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63485288
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
2-methyl-N-[[2-(2-methylbutan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62456990
2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 106598135
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 63496103) is N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccoc1COc1ccc(Br)cc1Cl.
What is the InChIKey of N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KDRYUHGYCFMQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-11-6-7-20-15(11)10-21-14-5-4-12(17)8-13(14)18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 372.69 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63496103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).