N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine

C12H18N2O — CID 117040526

IUPACN-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
SMILESCOc1ccc(N(C)C2CNC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-6-10(4-5-12(9)15-3)14(2)11-7-13-8-11/h4-6,11,13H,7-8H2,1-3H3
InChIKeyLJMVPMAENIBZOZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds3

About N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine

N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine (PubChem CID 117040526) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
PubChem CID117040526
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
SMILESCOc1ccc(N(C)C2CNC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-6-10(4-5-12(9)15-3)14(2)11-7-13-8-11/h4-6,11,13H,7-8H2,1-3H3
InChIKeyLJMVPMAENIBZOZ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine
CID 117040590
N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 115118686
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine
CID 117040558
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
4-[(4-methoxy-N,3-dimethylanilino)methyl]cyclohexan-1-one
CID 115240070
N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 115145780

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine (CID 117040526) is N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine is COc1ccc(N(C)C2CNC2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine?
The InChIKey is LJMVPMAENIBZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-10(4-5-12(9)15-3)14(2)11-7-13-8-11/h4-6,11,13H,7-8H2,1-3H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine?
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).