N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C15H25NO2 — CID 106450220

IUPACN-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOCCNCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(2)13-18-11-10-17-9-8-16-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyRQMYYNYOMFEECJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds10

About N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106450220) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106450220
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOCCNCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(2)13-18-11-10-17-9-8-16-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyRQMYYNYOMFEECJ-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
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-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
3-[[2-(2-methylpropoxy)ethylamino]methyl]benzonitrile
CID 113224473
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
4-[[2-(2-methylpropoxy)ethylamino]methyl]benzene-1,2-diol
CID 113224468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106450220) is N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CC(C)COCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is RQMYYNYOMFEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2)13-18-11-10-17-9-8-16-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106450220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).