3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine

C14H20BrNO — CID 79451126

IUPAC3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
SMILESCCCC1(CCOc2cccc(Br)c2)CNC1
InChIInChI=1S/C14H20BrNO/c1-2-6-14(10-16-11-14)7-8-17-13-5-3-4-12(15)9-13/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyIYBBCYDMZQCWQO-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.61
Rot. Bonds6

About 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine

3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine (PubChem CID 79451126) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
PubChem CID79451126
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
SMILESCCCC1(CCOc2cccc(Br)c2)CNC1
InChIInChI=1S/C14H20BrNO/c1-2-6-14(10-16-11-14)7-8-17-13-5-3-4-12(15)9-13/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyIYBBCYDMZQCWQO-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
3-[2-(3-bromophenoxy)ethyl]-3-(chloromethyl)oxolane
CID 66033229
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
1-bromo-3-[3-(bromomethyl)-3-methylhexoxy]benzene
CID 66049343
1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 65376174
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
CID 55026914

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine?
The IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine (CID 79451126) is 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine is CCCC1(CCOc2cccc(Br)c2)CNC1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine?
The InChIKey is IYBBCYDMZQCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-6-14(10-16-11-14)7-8-17-13-5-3-4-12(15)9-13/h3-5,9,16H,2,6-8,10-11H2,1H3.
What are the key properties of 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine?
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine has a molecular weight of 298.22 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine is sourced from PubChem (CID 79451126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).