N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine

C14H23NO2 — CID 104588362

IUPACN-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCCOc1ccc(CNCCOC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-4-16-14-7-5-13(6-8-14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyWWKNMQJGEVMTKI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine

N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 104588362) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID104588362
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCCOc1ccc(CNCCOC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-4-16-14-7-5-13(6-8-14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyWWKNMQJGEVMTKI-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
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-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588408
2-[2-(dimethylamino)ethoxy]-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 103952764
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine (CID 104588362) is N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine is CCOc1ccc(CNCCOC(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is WWKNMQJGEVMTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-14-7-5-13(6-8-14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).