2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol

C16H21NO2 — CID 60900061

IUPAC2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
SMILESCOCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3
InChIKeyLQMYNKCPHYRBSZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds7

About 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol

2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol (PubChem CID 60900061) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
PubChem CID60900061
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
SMILESCOCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3
InChIKeyLQMYNKCPHYRBSZ-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
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-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
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
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol (CID 60900061) is 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol is COCCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol?
The InChIKey is LQMYNKCPHYRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-10-4-9-17-12-16(18)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16-18H,4,9-10,12H2,1H3.
What are the key properties of 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol?
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol has a molecular weight of 259.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60900061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).