azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine

C15H24N2O — CID 116935294

IUPACazetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C1CNC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)11-5-6-13(18-4)12(7-11)14(16)10-8-17-9-10/h5-7,10,14,17H,8-9,16H2,1-4H3
InChIKeyATBYNKPQAISAAC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds3

About azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine

azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine (PubChem CID 116935294) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
PubChem CID116935294
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nameazetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C1CNC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)11-5-6-13(18-4)12(7-11)14(16)10-8-17-9-10/h5-7,10,14,17H,8-9,16H2,1-4H3
InChIKeyATBYNKPQAISAAC-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935509
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine (CID 116935294) is azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine is COc1ccc(C(C)(C)C)cc1C(N)C1CNC1.
What is the InChIKey of azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine?
The InChIKey is ATBYNKPQAISAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)11-5-6-13(18-4)12(7-11)14(16)10-8-17-9-10/h5-7,10,14,17H,8-9,16H2,1-4H3.
What are the key properties of azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine?
azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine is sourced from PubChem (CID 116935294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).