3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine

C17H19BrClNO2 — CID 161032531

IUPAC3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine
SMILESClc1ccc(OCc2ccc(CCCC3CNC3)o2)c(Br)c1
InChIInChI=1S/C17H19BrClNO2/c18-16-8-13(19)4-7-17(16)21-11-15-6-5-14(22-15)3-1-2-12-9-20-10-12/h4-8,12,20H,1-3,9-11H2
InChIKeyTZUSIKKWSGZGGM-UHFFFAOYSA-N
MW384.70 g/mol
LogP4.82
Rot. Bonds7

About 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine

3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine (PubChem CID 161032531) has the molecular formula C17H19BrClNO2 and a molecular weight of 384.70 g/mol. Its IUPAC name is 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine.

Molecular Properties

Compound Name3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine
PubChem CID161032531
Molecular FormulaC17H19BrClNO2
Molecular Weight384.70 g/mol
Exact Mass383.03
IUPAC Name3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine
SMILESClc1ccc(OCc2ccc(CCCC3CNC3)o2)c(Br)c1
InChIInChI=1S/C17H19BrClNO2/c18-16-8-13(19)4-7-17(16)21-11-15-6-5-14(22-15)3-1-2-12-9-20-10-12/h4-8,12,20H,1-3,9-11H2
InChIKeyTZUSIKKWSGZGGM-UHFFFAOYSA-N
XLogP4.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
CID 24902414
3-[3-[4-(2-bromo-4-chlorophenoxy)phenyl]propyl]azetidine
CID 159463440
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
CID 159672639
3-[3-[3-(2-bromo-4-chlorophenyl)phenyl]propyl]azetidine
CID 157180575
7-[(2-bromo-4-chlorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259997
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 95748474
N-[4-(azetidin-3-yl)butyl]-5-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzamide
CID 149007635
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(2-bromo-4-chlorophenoxy)propan-1-one;hydrochloride
CID 120658605

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine?
The IUPAC name of 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine (CID 161032531) is 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine.
What is the SMILES notation for 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine?
The canonical SMILES for 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine is Clc1ccc(OCc2ccc(CCCC3CNC3)o2)c(Br)c1.
What is the InChIKey of 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine?
The InChIKey is TZUSIKKWSGZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO2/c18-16-8-13(19)4-7-17(16)21-11-15-6-5-14(22-15)3-1-2-12-9-20-10-12/h4-8,12,20H,1-3,9-11H2.
What are the key properties of 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine?
3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine has a molecular weight of 384.70 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine is sourced from PubChem (CID 161032531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).