[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride

C11H18ClNO2 — CID 19835696

IUPAC[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
SMILESCOCc1cccc(COC)c1CN.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-13-7-9-4-3-5-10(8-14-2)11(9)6-12;/h3-5H,6-8,12H2,1-2H3;1H
InChIKeyAAVGOGPFZOBHEB-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.86
Rot. Bonds5

About [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride

[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride (PubChem CID 19835696) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
PubChem CID19835696
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
SMILESCOCc1cccc(COC)c1CN.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-13-7-9-4-3-5-10(8-14-2)11(9)6-12;/h3-5H,6-8,12H2,1-2H3;1H
InChIKeyAAVGOGPFZOBHEB-UHFFFAOYSA-N
XLogP1.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
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3-(methoxymethyl)-2-methylaniline
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2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
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2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
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3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride (CID 19835696) is [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride is COCc1cccc(COC)c1CN.Cl.
What is the InChIKey of [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride?
The InChIKey is AAVGOGPFZOBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-13-7-9-4-3-5-10(8-14-2)11(9)6-12;/h3-5H,6-8,12H2,1-2H3;1H.
What are the key properties of [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride?
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 19835696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).