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

C14H22N2O — CID 117040677

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCOc1cc(C)c(CN(C)C2CNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-6-14(17-4)11(2)5-12(10)9-16(3)13-7-15-8-13/h5-6,13,15H,7-9H2,1-4H3
InChIKeyIMEUVOLJXMIFDC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds4

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

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 117040677) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
PubChem CID117040677
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCOc1cc(C)c(CN(C)C2CNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-6-14(17-4)11(2)5-12(10)9-16(3)13-7-15-8-13/h5-6,13,15H,7-9H2,1-4H3
InChIKeyIMEUVOLJXMIFDC-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040697
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
CID 116906242
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine (CID 117040677) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine is COc1cc(C)c(CN(C)C2CNC2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is IMEUVOLJXMIFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-14(17-4)11(2)5-12(10)9-16(3)13-7-15-8-13/h5-6,13,15H,7-9H2,1-4H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 117040677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).