(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride

C22H26ClNO2 — CID 44665847

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
SMILESCC(C)(CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc12.[Cl-]
InChIInChI=1S/C22H25NO2.ClH/c1-22(2,16-24)23-14-20-19-11-7-6-10-18(19)12-13-21(20)25-15-17-8-4-3-5-9-17;/h3-13,23-24H,14-16H2,1-2H3;1H
InChIKeyKLTLWRGFKICTCQ-UHFFFAOYSA-N
MW371.91 g/mol
LogP0.26
Rot. Bonds7

About (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride

(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride (PubChem CID 44665847) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
PubChem CID44665847
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
SMILESCC(C)(CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc12.[Cl-]
InChIInChI=1S/C22H25NO2.ClH/c1-22(2,16-24)23-14-20-19-11-7-6-10-18(19)12-13-21(20)25-15-17-8-4-3-5-9-17;/h3-13,23-24H,14-16H2,1-2H3;1H
InChIKeyKLTLWRGFKICTCQ-UHFFFAOYSA-N
XLogP0.26
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-2-methylpropan-2-yl)-[(5-iodo-2-phenylmethoxyphenyl)methyl]azanium
CID 2234199
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
CID 43505743
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride
CID 44665886
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2972927

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride (CID 44665847) is (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride is CC(C)(CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc12.[Cl-].
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride?
The InChIKey is KLTLWRGFKICTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.ClH/c1-22(2,16-24)23-14-20-19-11-7-6-10-18(19)12-13-21(20)25-15-17-8-4-3-5-9-17;/h3-13,23-24H,14-16H2,1-2H3;1H.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride?
(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride has a molecular weight of 371.91 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride is sourced from PubChem (CID 44665847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).