2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine

C11H14ClNO2 — CID 102605646

IUPAC2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESNCC(OC1COC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2
InChIKeyVIBULFZVSBQUCH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine

2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine (PubChem CID 102605646) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine
PubChem CID102605646
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESNCC(OC1COC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2
InChIKeyVIBULFZVSBQUCH-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63558015
2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102605600
2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559032
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-(furan-2-yl)-2-(oxetan-3-yloxy)ethanamine
CID 102605609
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane
CID 102607679
2-(4-chlorophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66322375
1-chloro-4-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773972
2-(oxolan-3-yloxy)-2-pyridin-3-ylethanamine
CID 63558620
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine (CID 102605646) is 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine is NCC(OC1COC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is VIBULFZVSBQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2.
What are the key properties of 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine?
2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 227.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 102605646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).