azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine

C15H24N2O — CID 116935315

IUPACazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2CNC2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(16)11-7-17-8-11/h5-6,9,11,15,17H,7-8,16H2,1-4H3
InChIKeyNLHITLLYPCPVJR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds4

About azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine

azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine (PubChem CID 116935315) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
PubChem CID116935315
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nameazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2CNC2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(16)11-7-17-8-11/h5-6,9,11,15,17H,7-8,16H2,1-4H3
InChIKeyNLHITLLYPCPVJR-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935353
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 116935294

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine (CID 116935315) is azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine is COc1cc(C)c(C(N)C2CNC2)cc1C(C)C.
What is the InChIKey of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine?
The InChIKey is NLHITLLYPCPVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(16)11-7-17-8-11/h5-6,9,11,15,17H,7-8,16H2,1-4H3.
What are the key properties of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine?
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116935315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).