[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium

C15H20NO+ — CID 7322192

IUPAC[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium
SMILESCC[C@H](CO)[NH2+]Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/p+1/t14-/m1/s1
InChIKeyYVBGOMBRFIXNPF-CQSZACIVSA-O
MW230.33 g/mol
LogP1.67
Rot. Bonds5

About [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium

[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium (PubChem CID 7322192) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium.

Molecular Properties

Compound Name[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium
PubChem CID7322192
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium
SMILESCC[C@H](CO)[NH2+]Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/p+1/t14-/m1/s1
InChIKeyYVBGOMBRFIXNPF-CQSZACIVSA-O
XLogP1.67
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

bis(naphthalen-1-ylmethyl)azanium
CID 4663788
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
CID 11766965
1-(3-chloropentyl)naphthalene
CID 63460195
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
1-naphthalen-1-ylpentan-3-ol
CID 2793924
azane;1-ethylnaphthalene
CID 19048185
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
(3-oxobenzo[f]chromen-1-yl)methyl-pentan-3-ylazanium
CID 9265625

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium?
The IUPAC name of [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium (CID 7322192) is [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium.
What is the SMILES notation for [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium?
The canonical SMILES for [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium is CC[C@H](CO)[NH2+]Cc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium?
The InChIKey is YVBGOMBRFIXNPF-CQSZACIVSA-O. The full InChI is InChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/p+1/t14-/m1/s1.
What are the key properties of [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium?
[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium has a molecular weight of 230.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium is sourced from PubChem (CID 7322192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).