N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

C15H25NO2 — CID 55073215

IUPACN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-4-16-11-14-7-5-6-8-15(14)18-10-9-17-12-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyHHEBSBQCPCDCOM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds9

About N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 55073215) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID55073215
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-4-16-11-14-7-5-6-8-15(14)18-10-9-17-12-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyHHEBSBQCPCDCOM-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
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-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959122
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (CID 55073215) is N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCOCC(C)C.
What is the InChIKey of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is HHEBSBQCPCDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-16-11-14-7-5-6-8-15(14)18-10-9-17-12-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 55073215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).