[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium

C17H22NO2+ — CID 7324156

IUPAC[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-14(13-19-2)18-12-15-7-6-10-17(11-15)20-16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m0/s1
InChIKeyOKLVOSIUWRAEJX-AWEZNQCLSA-O
MW272.37 g/mol
LogP2.58
Rot. Bonds7

About [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium

[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium (PubChem CID 7324156) has the molecular formula C17H22NO2+ and a molecular weight of 272.37 g/mol. Its IUPAC name is [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium
PubChem CID7324156
Molecular FormulaC17H22NO2+
Molecular Weight272.37 g/mol
Exact Mass272.16
IUPAC Name[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-14(13-19-2)18-12-15-7-6-10-17(11-15)20-16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m0/s1
InChIKeyOKLVOSIUWRAEJX-AWEZNQCLSA-O
XLogP2.58
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
CID 23332476

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium?
The IUPAC name of [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium (CID 7324156) is [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium.
What is the SMILES notation for [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium?
The canonical SMILES for [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium is COC[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium?
The InChIKey is OKLVOSIUWRAEJX-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H21NO2/c1-14(13-19-2)18-12-15-7-6-10-17(11-15)20-16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium?
[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium has a molecular weight of 272.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium is sourced from PubChem (CID 7324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).