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

C16H19BrClNO2 — CID 63496470

IUPACN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-12-5-6-13(21-12)10-20-15-7-4-11(17)8-14(15)18/h4-8,19H,9-10H2,1-3H3
InChIKeySKMPJLDNALFQJO-UHFFFAOYSA-N
MW372.69 g/mol
LogP5.16
Rot. Bonds5

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

N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63496470) 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-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63496470
Molecular FormulaC16H19BrClNO2
Molecular Weight372.69 g/mol
Exact Mass371.03
IUPAC NameN-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-12-5-6-13(21-12)10-20-15-7-4-11(17)8-14(15)18/h4-8,19H,9-10H2,1-3H3
InChIKeySKMPJLDNALFQJO-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-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 63496103
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 83138171
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19463799

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 63496470) is N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SKMPJLDNALFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO2/c1-16(2,3)19-9-12-5-6-13(21-12)10-20-15-7-4-11(17)8-14(15)18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-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-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63496470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).