azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine

C14H22N2O — CID 116935336

IUPACazetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(C)C)ccc1C(N)C1CNC1
InChIInChI=1S/C14H22N2O/c1-9(2)10-4-5-12(13(6-10)17-3)14(15)11-7-16-8-11/h4-6,9,11,14,16H,7-8,15H2,1-3H3
InChIKeyCKYOTHBDOWNOPA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds4

About azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine

azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine (PubChem CID 116935336) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
PubChem CID116935336
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameazetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(C)C)ccc1C(N)C1CNC1
InChIInChI=1S/C14H22N2O/c1-9(2)10-4-5-12(13(6-10)17-3)14(15)11-7-16-8-11/h4-6,9,11,14,16H,7-8,15H2,1-3H3
InChIKeyCKYOTHBDOWNOPA-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935353
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 116935294
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine (CID 116935336) is azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine is COc1cc(C(C)C)ccc1C(N)C1CNC1.
What is the InChIKey of azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine?
The InChIKey is CKYOTHBDOWNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)10-4-5-12(13(6-10)17-3)14(15)11-7-16-8-11/h4-6,9,11,14,16H,7-8,15H2,1-3H3.
What are the key properties of azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine?
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116935336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).