N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine

C15H25NO2 — CID 63323300

IUPACN-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCOCC
InChIInChI=1S/C15H25NO2/c1-4-8-16-12-14-11-13(3)6-7-15(14)18-10-9-17-5-2/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyWDGKGLYTDCRYJQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds9

About N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine

N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine (PubChem CID 63323300) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
PubChem CID63323300
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCOCC
InChIInChI=1S/C15H25NO2/c1-4-8-16-12-14-11-13(3)6-7-15(14)18-10-9-17-5-2/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyWDGKGLYTDCRYJQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine (CID 63323300) is N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine is CCCNCc1cc(C)ccc1OCCOCC.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine?
The InChIKey is WDGKGLYTDCRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-8-16-12-14-11-13(3)6-7-15(14)18-10-9-17-5-2/h6-7,11,16H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine?
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63323300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).