(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol

C16H19NO — CID 124593831

IUPAC(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
SMILESC=C[C@H](C)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h3-10,12,16-18H,1,11H2,2H3/t12-,16-/m0/s1
InChIKeyYIAFZQFLOCLOCH-LRDDRELGSA-N
MW241.33 g/mol
LogP3.04
Rot. Bonds5

About (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol

(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol (PubChem CID 124593831) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
PubChem CID124593831
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
SMILESC=C[C@H](C)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h3-10,12,16-18H,1,11H2,2H3/t12-,16-/m0/s1
InChIKeyYIAFZQFLOCLOCH-LRDDRELGSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
(2S)-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutan-1-ol
CID 79250265
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
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
CID 106401540
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol (CID 124593831) is (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol is C=C[C@H](C)NC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol?
The InChIKey is YIAFZQFLOCLOCH-LRDDRELGSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h3-10,12,16-18H,1,11H2,2H3/t12-,16-/m0/s1.
What are the key properties of (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol?
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol has a molecular weight of 241.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 124593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).