2-phenyl-3-propan-2-ylazetidine

C12H17N — CID 66350091

IUPAC2-phenyl-3-propan-2-ylazetidine
SMILESCC(C)C1CNC1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)11-8-13-12(11)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyHJXNETXEGQKNMN-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.60
Rot. Bonds2

About 2-phenyl-3-propan-2-ylazetidine

2-phenyl-3-propan-2-ylazetidine (PubChem CID 66350091) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name2-phenyl-3-propan-2-ylazetidine
PubChem CID66350091
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-phenyl-3-propan-2-ylazetidine
SMILESCC(C)C1CNC1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)11-8-13-12(11)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyHJXNETXEGQKNMN-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-fluoro-2-phenylazetidine
CID 118903296
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
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(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
1-(4-phenylpyrrolidin-3-yl)ethanol
CID 23009402
ethane;(2S)-2-phenylaziridine
CID 145185749
2,3-diphenylpiperazine;hydrochloride
CID 175072756
3-phenoxy-4-propan-2-ylpyrrolidine
CID 130439582
3-phenyl-4-propan-2-yloxolane
CID 85213034
(3R,4S)-3-phenyl-4-propan-2-yloxolane
CID 10631550
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
3-(2-methylpropyl)-2-phenylpyrrolidine
CID 62722562

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-ylazetidine?
The IUPAC name of 2-phenyl-3-propan-2-ylazetidine (CID 66350091) is 2-phenyl-3-propan-2-ylazetidine.
What is the SMILES notation for 2-phenyl-3-propan-2-ylazetidine?
The canonical SMILES for 2-phenyl-3-propan-2-ylazetidine is CC(C)C1CNC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-propan-2-ylazetidine?
The InChIKey is HJXNETXEGQKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)11-8-13-12(11)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-ylazetidine?
2-phenyl-3-propan-2-ylazetidine has a molecular weight of 175.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-ylazetidine is sourced from PubChem (CID 66350091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).