1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine

C14H21NO2 — CID 164643205

IUPAC1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine
SMILESCOCC[C@H](C)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-12(8-9-16-2)15-10-14(11-15)17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyKEPLAXCWDMYACF-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds6

About 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine

1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine (PubChem CID 164643205) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine.

Molecular Properties

Compound Name1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine
PubChem CID164643205
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine
SMILESCOCC[C@H](C)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-12(8-9-16-2)15-10-14(11-15)17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyKEPLAXCWDMYACF-LBPRGKRZSA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine?
The IUPAC name of 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine (CID 164643205) is 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine.
What is the SMILES notation for 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine?
The canonical SMILES for 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine is COCC[C@H](C)N1CC(Oc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine?
The InChIKey is KEPLAXCWDMYACF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(8-9-16-2)15-10-14(11-15)17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine?
1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine has a molecular weight of 235.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine is sourced from PubChem (CID 164643205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).