N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine

C14H23NO2 — CID 104588261

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCOc1ccc(C)cc1CNCCOC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)17-8-7-15-10-13-9-12(3)5-6-14(13)16-4/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyJNGFSGLQFKELEP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.52
Rot. Bonds7

About N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine

N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 104588261) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID104588261
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCOc1ccc(C)cc1CNCCOC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)17-8-7-15-10-13-9-12(3)5-6-14(13)16-4/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyJNGFSGLQFKELEP-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
CID 143806705
N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
CID 63325059
3-(2-chloroethoxy)-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 114171234
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine (CID 104588261) is N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine is COc1ccc(C)cc1CNCCOC(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is JNGFSGLQFKELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)17-8-7-15-10-13-9-12(3)5-6-14(13)16-4/h5-6,9,11,15H,7-8,10H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine?
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104588261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).