N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine

C15H24N2O — CID 117040697

IUPACN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCOc1c(C)cc(CN(C)C2CNC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-6-13(9-17(4)14-7-16-8-14)11(2)12(3)15(10)18-5/h6,14,16H,7-9H2,1-5H3
InChIKeyCAHMWPYXOAETCF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 117040697) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
PubChem CID117040697
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCOc1c(C)cc(CN(C)C2CNC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-6-13(9-17(4)14-7-16-8-14)11(2)12(3)15(10)18-5/h6,14,16H,7-9H2,1-5H3
InChIKeyCAHMWPYXOAETCF-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylazetidine-3-carboxamide
CID 115158760
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine (CID 117040697) is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine is COc1c(C)cc(CN(C)C2CNC2)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is CAHMWPYXOAETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-13(9-17(4)14-7-16-8-14)11(2)12(3)15(10)18-5/h6,14,16H,7-9H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine?
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 117040697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).