3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol

C15H19NO2 — CID 60909589

IUPAC3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
SMILESOCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2/c17-9-3-8-16-11-15(18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15-18H,3,8-9,11H2
InChIKeyUDWFMZIILXHYAI-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.85
Rot. Bonds6

About 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol

3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol (PubChem CID 60909589) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
PubChem CID60909589
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
SMILESOCCCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2/c17-9-3-8-16-11-15(18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15-18H,3,8-9,11H2
InChIKeyUDWFMZIILXHYAI-UHFFFAOYSA-N
XLogP1.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
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-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol (CID 60909589) is 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol is OCCCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol?
The InChIKey is UDWFMZIILXHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-9-3-8-16-11-15(18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15-18H,3,8-9,11H2.
What are the key properties of 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol?
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 60909589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).