2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol

C18H23NO2 — CID 106401540

IUPAC2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
SMILESC=CCCOCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-2-3-11-21-12-10-19-14-18(20)17-9-8-15-6-4-5-7-16(15)13-17/h2,4-9,13,18-20H,1,3,10-12,14H2
InChIKeyXGLVWZHKZNNXRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds9

About 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol

2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol (PubChem CID 106401540) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
PubChem CID106401540
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
SMILESC=CCCOCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-2-3-11-21-12-10-19-14-18(20)17-9-8-15-6-4-5-7-16(15)13-17/h2,4-9,13,18-20H,1,3,10-12,14H2
InChIKeyXGLVWZHKZNNXRU-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654
2-(2-but-3-enoxyethylamino)-1-(3,4-difluorophenyl)ethanol
CID 106401574
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
2-(2-but-3-enoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 106401324
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol (CID 106401540) is 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol is C=CCCOCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol?
The InChIKey is XGLVWZHKZNNXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-3-11-21-12-10-19-14-18(20)17-9-8-15-6-4-5-7-16(15)13-17/h2,4-9,13,18-20H,1,3,10-12,14H2.
What are the key properties of 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol?
2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol has a molecular weight of 285.39 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 106401540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).