3-methyl-3-phenyl-1-propan-2-ylazetidine

C13H19N — CID 121277352

IUPAC3-methyl-3-phenyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11(2)14-9-13(3,10-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyYJQCZERVZAZCPT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.67
Rot. Bonds2

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

3-methyl-3-phenyl-1-propan-2-ylazetidine (PubChem CID 121277352) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-propan-2-ylazetidine
PubChem CID121277352
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-3-phenyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11(2)14-9-13(3,10-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyYJQCZERVZAZCPT-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-1-propan-2-ylazetidin-3-ol
CID 58547253
1-ethyl-3-methyl-3-phenylazetidine
CID 23641
(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine
CID 170207669
3-phenyl-1-propan-2-ylpiperidin-3-ol
CID 12689966
1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
CID 177071314
(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
methanimine;(1-methylcyclopropyl)benzene
CID 163372964
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
methane;(1-methylcyclopentyl)benzene
CID 143499824
3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
CID 176766940
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
2-methyl-2-phenyl-1-propan-2-ylpiperazine
CID 64845830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-propan-2-ylazetidine?
The IUPAC name of 3-methyl-3-phenyl-1-propan-2-ylazetidine (CID 121277352) is 3-methyl-3-phenyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methyl-3-phenyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-methyl-3-phenyl-1-propan-2-ylazetidine is CC(C)N1CC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-1-propan-2-ylazetidine?
The InChIKey is YJQCZERVZAZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)14-9-13(3,10-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 3-methyl-3-phenyl-1-propan-2-ylazetidine?
3-methyl-3-phenyl-1-propan-2-ylazetidine has a molecular weight of 189.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-propan-2-ylazetidine is sourced from PubChem (CID 121277352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).