2-(4-butylphenyl)azetidine

C13H19N — CID 55273387

IUPAC2-(4-butylphenyl)azetidine
SMILESCCCCc1ccc(C2CCN2)cc1
InChIInChI=1S/C13H19N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyWWWWUKACOXXAOX-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-butylphenyl)azetidine

2-(4-butylphenyl)azetidine (PubChem CID 55273387) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-butylphenyl)azetidine.

Molecular Properties

Compound Name2-(4-butylphenyl)azetidine
PubChem CID55273387
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-butylphenyl)azetidine
SMILESCCCCc1ccc(C2CCN2)cc1
InChIInChI=1S/C13H19N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyWWWWUKACOXXAOX-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
CID 114426186
(2S)-2-(4-propylphenyl)aziridine
CID 55263865
[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
CID 147473503
3-(4-butylphenyl)pyrrolidin-2-one
CID 82127210
2-[4-(3-fluoropropyl)phenyl]piperidine
CID 117316921
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
CID 122363010
4-(4-propylphenyl)azetidin-2-one
CID 66350088
2-[4-(5,5-dimethylhexyl)phenyl]pyrrolidine;2-methylpropane
CID 166169217
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)azetidine?
The IUPAC name of 2-(4-butylphenyl)azetidine (CID 55273387) is 2-(4-butylphenyl)azetidine.
What is the SMILES notation for 2-(4-butylphenyl)azetidine?
The canonical SMILES for 2-(4-butylphenyl)azetidine is CCCCc1ccc(C2CCN2)cc1.
What is the InChIKey of 2-(4-butylphenyl)azetidine?
The InChIKey is WWWWUKACOXXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-13/h5-8,13-14H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-butylphenyl)azetidine?
2-(4-butylphenyl)azetidine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)azetidine is sourced from PubChem (CID 55273387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).