(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol

C18H25NO — CID 124562243

IUPAC(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
SMILESC[C@H](NC[C@H](O)c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-17(20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,19-20H,12H2,1-4H3/t13-,17-/m0/s1
InChIKeyQQBJEWFQQYPMCY-GUYCJALGSA-N
MW271.40 g/mol
LogP3.90
Rot. Bonds4

About (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol

(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol (PubChem CID 124562243) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
PubChem CID124562243
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
SMILESC[C@H](NC[C@H](O)c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-17(20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,19-20H,12H2,1-4H3/t13-,17-/m0/s1
InChIKeyQQBJEWFQQYPMCY-GUYCJALGSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
CID 79250265
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
(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-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
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
3-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,2,4-trimethylpentanamide
CID 167933899
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol (CID 124562243) is (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol is C[C@H](NC[C@H](O)c1ccc2ccccc2c1)C(C)(C)C.
What is the InChIKey of (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol?
The InChIKey is QQBJEWFQQYPMCY-GUYCJALGSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(18(2,3)4)19-12-17(20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,19-20H,12H2,1-4H3/t13-,17-/m0/s1.
What are the key properties of (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol?
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol has a molecular weight of 271.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 124562243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).