2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol

C17H23NO2 — CID 60969599

IUPAC2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
SMILESCOCCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-20-11-5-4-10-18-13-17(19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17-19H,4-5,10-11,13H2,1H3
InChIKeySYOCHEZCHAKJMX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds8

About 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol

2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol (PubChem CID 60969599) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
PubChem CID60969599
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
SMILESCOCCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-20-11-5-4-10-18-13-17(19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17-19H,4-5,10-11,13H2,1H3
InChIKeySYOCHEZCHAKJMX-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
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-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654
1-(1,3-benzodioxol-5-yl)-2-(4-methoxybutylamino)ethanol
CID 60970196
4-[1-hydroxy-2-(6-methoxyhexylamino)ethyl]-2-(hydroxymethyl)phenol
CID 20739121
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol (CID 60969599) is 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol is COCCCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol?
The InChIKey is SYOCHEZCHAKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-11-5-4-10-18-13-17(19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17-19H,4-5,10-11,13H2,1H3.
What are the key properties of 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol?
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol has a molecular weight of 273.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60969599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).