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

C13H22NO3+ — CID 6941908

IUPAC(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/p+1/t10-/m0/s1
InChIKeyMSEUQISSMRSQFO-JTQLQIEISA-O
MW240.32 g/mol
LogP0.80
Rot. Bonds7

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

(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium (PubChem CID 6941908) has the molecular formula C13H22NO3+ and a molecular weight of 240.32 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
PubChem CID6941908
Molecular FormulaC13H22NO3+
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
SMILESCOC[C@H](C)[NH2+]Cc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/p+1/t10-/m0/s1
InChIKeyMSEUQISSMRSQFO-JTQLQIEISA-O
XLogP0.80
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7135735
[(2S)-butan-2-yl]-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]azanium
CID 7993578
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The IUPAC name of (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium (CID 6941908) is (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium.
What is the SMILES notation for (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The canonical SMILES for (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium is COC[C@H](C)[NH2+]Cc1cccc(OC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
The InChIKey is MSEUQISSMRSQFO-JTQLQIEISA-O. The full InChI is InChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/p+1/t10-/m0/s1.
What are the key properties of (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium?
(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium has a molecular weight of 240.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium is sourced from PubChem (CID 6941908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).