2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol

C18H23NO2 — CID 114467654

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
SMILESC=C(C)COCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-10-9-19-12-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18-20H,1,9-10,12-13H2,2H3
InChIKeyVLOKVMMWGPYZBT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol

2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol (PubChem CID 114467654) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
PubChem CID114467654
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
SMILESC=C(C)COCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-14(2)13-21-10-9-19-12-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18-20H,1,9-10,12-13H2,2H3
InChIKeyVLOKVMMWGPYZBT-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
CID 106401540
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol (CID 114467654) is 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol is C=C(C)COCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol?
The InChIKey is VLOKVMMWGPYZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)13-21-10-9-19-12-18(20)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18-20H,1,9-10,12-13H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol?
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol has a molecular weight of 285.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 114467654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).