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

C17H23NO2 — CID 79250265

IUPAC(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-12(2)16(11-19)18-10-17(20)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,16-20H,10-11H2,1-2H3/t16-,17?/m1/s1
InChIKeyVWSCHXNMIZXHKM-TZHYSIJRSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds6

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

(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol (PubChem CID 79250265) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
PubChem CID79250265
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-12(2)16(11-19)18-10-17(20)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,16-20H,10-11H2,1-2H3/t16-,17?/m1/s1
InChIKeyVWSCHXNMIZXHKM-TZHYSIJRSA-N
XLogP2.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
(2S)-2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 79250497
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol (CID 79250265) is (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol?
The InChIKey is VWSCHXNMIZXHKM-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)16(11-19)18-10-17(20)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,16-20H,10-11H2,1-2H3/t16-,17?/m1/s1.
What are the key properties of (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79250265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).