N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine

C15H25NO2 — CID 62455416

IUPACN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COCCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-16-11-14-5-7-15(8-6-14)12-17-9-10-18-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyQQQRHZZPGSEVHZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds9

About N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine

N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine (PubChem CID 62455416) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
PubChem CID62455416
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COCCOC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-16-11-14-5-7-15(8-6-14)12-17-9-10-18-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyQQQRHZZPGSEVHZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554
4-(2-propan-2-yloxyethoxymethyl)benzonitrile
CID 24700236
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]butan-1-amine
CID 156653083
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine (CID 62455416) is N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine is CCNCc1ccc(COCCOC(C)C)cc1.
What is the InChIKey of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is QQQRHZZPGSEVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-16-11-14-5-7-15(8-6-14)12-17-9-10-18-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine?
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).