3-phenyl-1-propan-2-ylazetidine

C12H17N — CID 23628

IUPAC3-phenyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2ccccc2)C1
InChIInChI=1S/C12H17N/c1-10(2)13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyODSLIHMMZLMSNV-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.49
Rot. Bonds2

About 3-phenyl-1-propan-2-ylazetidine

3-phenyl-1-propan-2-ylazetidine (PubChem CID 23628) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylazetidine
PubChem CID23628
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-phenyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2ccccc2)C1
InChIInChI=1S/C12H17N/c1-10(2)13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyODSLIHMMZLMSNV-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
CID 104549262
1-(3-phenylazetidin-1-yl)propan-2-amine
CID 79678863
3-(2-chlorophenyl)-1-propan-2-ylazetidine
CID 167307066
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
5-(3-phenylazetidin-1-yl)hexanoic acid
CID 82848109
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
2-phenyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 72615288
3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine
CID 170218120

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylazetidine?
The IUPAC name of 3-phenyl-1-propan-2-ylazetidine (CID 23628) is 3-phenyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-phenyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-phenyl-1-propan-2-ylazetidine is CC(C)N1CC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-propan-2-ylazetidine?
The InChIKey is ODSLIHMMZLMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylazetidine?
3-phenyl-1-propan-2-ylazetidine has a molecular weight of 175.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylazetidine is sourced from PubChem (CID 23628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).