N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine

C15H25NO2 — CID 65369408

IUPACN-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C15H25NO2/c1-5-17-11-18-15-7-6-13(4)8-14(15)10-16-9-12(2)3/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyOUKFJKANDHTMDV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds8

About N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65369408) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID65369408
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1ccc(C)cc1CNCC(C)C
InChIInChI=1S/C15H25NO2/c1-5-17-11-18-15-7-6-13(4)8-14(15)10-16-9-12(2)3/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyOUKFJKANDHTMDV-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
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)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63327030
N-[[3-chloro-4-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369848
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63327028
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine (CID 65369408) is N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine is CCOCOc1ccc(C)cc1CNCC(C)C.
What is the InChIKey of N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OUKFJKANDHTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-17-11-18-15-7-6-13(4)8-14(15)10-16-9-12(2)3/h6-8,12,16H,5,9-11H2,1-4H3.
What are the key properties of N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65369408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).