1-ethyl-3-methyl-3-phenylazetidine

C12H17N — CID 23641

IUPAC1-ethyl-3-methyl-3-phenylazetidine
SMILESCCN1CC(C)(c2ccccc2)C1
InChIInChI=1S/C12H17N/c1-3-13-9-12(2,10-13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyIBTFOUVBDTVISK-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.28
Rot. Bonds2

About 1-ethyl-3-methyl-3-phenylazetidine

1-ethyl-3-methyl-3-phenylazetidine (PubChem CID 23641) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-phenylazetidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-phenylazetidine
PubChem CID23641
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-ethyl-3-methyl-3-phenylazetidine
SMILESCCN1CC(C)(c2ccccc2)C1
InChIInChI=1S/C12H17N/c1-3-13-9-12(2,10-13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyIBTFOUVBDTVISK-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-phenylazetidine?
The IUPAC name of 1-ethyl-3-methyl-3-phenylazetidine (CID 23641) is 1-ethyl-3-methyl-3-phenylazetidine.
What is the SMILES notation for 1-ethyl-3-methyl-3-phenylazetidine?
The canonical SMILES for 1-ethyl-3-methyl-3-phenylazetidine is CCN1CC(C)(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-methyl-3-phenylazetidine?
The InChIKey is IBTFOUVBDTVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-13-9-12(2,10-13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-3-phenylazetidine?
1-ethyl-3-methyl-3-phenylazetidine has a molecular weight of 175.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-phenylazetidine is sourced from PubChem (CID 23641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).