2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol

C16H25NO2 — CID 82982523

IUPAC2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol
SMILESCCN(CC1CCCO1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C16H25NO2/c1-4-17(11-14-6-5-9-19-14)13(3)15-10-12(2)7-8-16(15)18/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyCNHUKXNQUDWPIS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol

2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol (PubChem CID 82982523) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol
PubChem CID82982523
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol
SMILESCCN(CC1CCCO1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C16H25NO2/c1-4-17(11-14-6-5-9-19-14)13(3)15-10-12(2)7-8-16(15)18/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyCNHUKXNQUDWPIS-UHFFFAOYSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-2-[ethyl(oxolan-2-ylmethyl)amino]propan-1-one
CID 61434392
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
CID 65157773
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol (CID 82982523) is 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol is CCN(CC1CCCO1)C(C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol?
The InChIKey is CNHUKXNQUDWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17(11-14-6-5-9-19-14)13(3)15-10-12(2)7-8-16(15)18/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol?
2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol is sourced from PubChem (CID 82982523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).