2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol

C17H23NO — CID 61167220

IUPAC2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
SMILESCC(C)(C)CNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,3)12-18-11-16(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16,18-19H,11-12H2,1-3H3
InChIKeyUKPAIXPPXWTSKF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol

2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol (PubChem CID 61167220) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
PubChem CID61167220
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
SMILESCC(C)(C)CNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,3)12-18-11-16(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16,18-19H,11-12H2,1-3H3
InChIKeyUKPAIXPPXWTSKF-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(2-cyclopropylpropylamino)-1-naphthalen-2-ylethanol
CID 115591800
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
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
2-[(1-methylcyclopentyl)methylamino]-1-naphthalen-2-ylethanol
CID 63823137

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol (CID 61167220) is 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol is CC(C)(C)CNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol?
The InChIKey is UKPAIXPPXWTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,3)12-18-11-16(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16,18-19H,11-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol?
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol has a molecular weight of 257.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 61167220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).