1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine

C14H22N2O — CID 65250062

IUPAC1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
SMILESCc1ccc(C)c(OCCCN2CC(N)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-5-12(2)14(8-11)17-7-3-6-16-9-13(15)10-16/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3
InChIKeyOWSDJHNALHKZDK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds5

About 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine

1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine (PubChem CID 65250062) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
PubChem CID65250062
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
SMILESCc1ccc(C)c(OCCCN2CC(N)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-5-12(2)14(8-11)17-7-3-6-16-9-13(15)10-16/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3
InChIKeyOWSDJHNALHKZDK-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine?
The IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine (CID 65250062) is 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine.
What is the SMILES notation for 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine?
The canonical SMILES for 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine is Cc1ccc(C)c(OCCCN2CC(N)C2)c1.
What is the InChIKey of 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine?
The InChIKey is OWSDJHNALHKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-5-12(2)14(8-11)17-7-3-6-16-9-13(15)10-16/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine?
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine is sourced from PubChem (CID 65250062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).