(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

C19H26NO3+ — CID 7324300

IUPAC(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-15(13-21-2)20-12-17-9-10-18(22-3)19(11-17)23-14-16-7-5-4-6-8-16/h4-11,15,20H,12-14H2,1-3H3/p+1/t15-/m0/s1
InChIKeyDIOZCKTYOXSHSF-HNNXBMFYSA-O
MW316.42 g/mol
LogP2.37
Rot. Bonds9

About (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium (PubChem CID 7324300) has the molecular formula C19H26NO3+ and a molecular weight of 316.42 g/mol. Its IUPAC name is (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium.

Molecular Properties

Compound Name(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
PubChem CID7324300
Molecular FormulaC19H26NO3+
Molecular Weight316.42 g/mol
Exact Mass316.19
IUPAC Name(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-15(13-21-2)20-12-17-9-10-18(22-3)19(11-17)23-14-16-7-5-4-6-8-16/h4-11,15,20H,12-14H2,1-3H3/p+1/t15-/m0/s1
InChIKeyDIOZCKTYOXSHSF-HNNXBMFYSA-O
XLogP2.37
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
(4-methoxy-3-methylphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 6942638
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802
2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
CID 7418975
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium
CID 7203495
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
CID 125466336
[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium
CID 7479255
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The IUPAC name of (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium (CID 7324300) is (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium.
What is the SMILES notation for (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The canonical SMILES for (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium is COC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The InChIKey is DIOZCKTYOXSHSF-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H25NO3/c1-15(13-21-2)20-12-17-9-10-18(22-3)19(11-17)23-14-16-7-5-4-6-8-16/h4-11,15,20H,12-14H2,1-3H3/p+1/t15-/m0/s1.
What are the key properties of (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium has a molecular weight of 316.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium is sourced from PubChem (CID 7324300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).