N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine

C15H25NO — CID 113314833

IUPACN-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COC(C)C
InChIInChI=1S/C15H25NO/c1-4-10-16-11-9-14-7-5-6-8-15(14)12-17-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyVBXULWCGHHXMOD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.15
Rot. Bonds8

About N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine

N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 113314833) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID113314833
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COC(C)C
InChIInChI=1S/C15H25NO/c1-4-10-16-11-9-14-7-5-6-8-15(14)12-17-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyVBXULWCGHHXMOD-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
CID 115465015
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
CID 115464435
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464581
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine (CID 113314833) is N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine is CCCNCCc1ccccc1COC(C)C.
What is the InChIKey of N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is VBXULWCGHHXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-10-16-11-9-14-7-5-6-8-15(14)12-17-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine?
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 113314833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).