2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol

C16H21NO3 — CID 124571352

IUPAC2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3/c1-16(10-18,11-19)17-9-15(20)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15,17-20H,9-11H2,1H3/t15-/m1/s1
InChIKeyCFWKUVUFCNSYQM-OAHLLOKOSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds6

About 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol

2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol (PubChem CID 124571352) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
PubChem CID124571352
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3/c1-16(10-18,11-19)17-9-15(20)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15,17-20H,9-11H2,1H3/t15-/m1/s1
InChIKeyCFWKUVUFCNSYQM-OAHLLOKOSA-N
XLogP1.21
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
CID 107865261
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
CID 79250265
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol (CID 124571352) is 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol is CC(CO)(CO)NC[C@@H](O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol?
The InChIKey is CFWKUVUFCNSYQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(10-18,11-19)17-9-15(20)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15,17-20H,9-11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol?
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol has a molecular weight of 275.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 124571352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).