1-[(4-propan-2-ylphenyl)methyl]azetidine

C13H19N — CID 58279197

IUPAC1-[(4-propan-2-ylphenyl)methyl]azetidine
SMILESCC(C)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C13H19N/c1-11(2)13-6-4-12(5-7-13)10-14-8-3-9-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRRVGVQCJLPPPMM-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.02
Rot. Bonds3

About 1-[(4-propan-2-ylphenyl)methyl]azetidine

1-[(4-propan-2-ylphenyl)methyl]azetidine (PubChem CID 58279197) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]azetidine
PubChem CID58279197
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]azetidine
SMILESCC(C)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C13H19N/c1-11(2)13-6-4-12(5-7-13)10-14-8-3-9-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRRVGVQCJLPPPMM-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60676643
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
CID 158612110
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 77090296
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]azetidine?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]azetidine (CID 58279197) is 1-[(4-propan-2-ylphenyl)methyl]azetidine.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]azetidine?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]azetidine is CC(C)c1ccc(CN2CCC2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]azetidine?
The InChIKey is RRVGVQCJLPPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)13-6-4-12(5-7-13)10-14-8-3-9-14/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]azetidine?
1-[(4-propan-2-ylphenyl)methyl]azetidine has a molecular weight of 189.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]azetidine is sourced from PubChem (CID 58279197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).