N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C16H19BrClNO2 — CID 63497884

IUPACN-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COc2ccc(Cl)cc2Br)oc1CNC(C)C
InChIInChI=1S/C16H19BrClNO2/c1-10(2)19-8-16-11(3)6-13(21-16)9-20-15-5-4-12(18)7-14(15)17/h4-7,10,19H,8-9H2,1-3H3
InChIKeyRXOJBZASHZHHBK-UHFFFAOYSA-N
MW372.69 g/mol
LogP5.08
Rot. Bonds6

About N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 63497884) has the molecular formula C16H19BrClNO2 and a molecular weight of 372.69 g/mol. Its IUPAC name is N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID63497884
Molecular FormulaC16H19BrClNO2
Molecular Weight372.69 g/mol
Exact Mass371.03
IUPAC NameN-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COc2ccc(Cl)cc2Br)oc1CNC(C)C
InChIInChI=1S/C16H19BrClNO2/c1-10(2)19-8-16-11(3)6-13(21-16)9-20-15-5-4-12(18)7-14(15)17/h4-7,10,19H,8-9H2,1-3H3
InChIKeyRXOJBZASHZHHBK-UHFFFAOYSA-N
XLogP5.08
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.69
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63490596
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451768
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62450823
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62460704

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 63497884) is N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(COc2ccc(Cl)cc2Br)oc1CNC(C)C.
What is the InChIKey of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is RXOJBZASHZHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO2/c1-10(2)19-8-16-11(3)6-13(21-16)9-20-15-5-4-12(18)7-14(15)17/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 372.69 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63497884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).