N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

C14H23NO2 — CID 65369676

IUPACN-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1ccccc1CNCC(C)C
InChIInChI=1S/C14H23NO2/c1-4-16-11-17-14-8-6-5-7-13(14)10-15-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGVEMRUKGPTYLGK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.81
Rot. Bonds8

About N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65369676) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID65369676
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1ccccc1CNCC(C)C
InChIInChI=1S/C14H23NO2/c1-4-16-11-17-14-8-6-5-7-13(14)10-15-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGVEMRUKGPTYLGK-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62456625
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[3-chloro-4-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369848
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057663

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 65369676) is N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is CCOCOc1ccccc1CNCC(C)C.
What is the InChIKey of N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GVEMRUKGPTYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-11-17-14-8-6-5-7-13(14)10-15-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65369676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).