1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H23NO5 — CID 106988442

IUPAC1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(OC)cc1CN
InChIInChI=1S/C14H23NO5/c1-17-5-6-19-9-12(16)10-20-14-4-3-13(18-2)7-11(14)8-15/h3-4,7,12,16H,5-6,8-10,15H2,1-2H3
InChIKeyORXTVVVMKVAPCH-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.56
Rot. Bonds10

About 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988442) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988442
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(OC)cc1CN
InChIInChI=1S/C14H23NO5/c1-17-5-6-19-9-12(16)10-20-14-4-3-13(18-2)7-11(14)8-15/h3-4,7,12,16H,5-6,8-10,15H2,1-2H3
InChIKeyORXTVVVMKVAPCH-UHFFFAOYSA-N
XLogP0.56
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)-5-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988558
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
1-[2-(aminomethyl)-4-fluorophenoxy]-3-butoxypropan-2-ol
CID 107694736
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987369
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-[2-(3-butoxy-2-hydroxypropoxy)-4-methoxyphenyl]ethanone
CID 107263247
1-[2-(hydroxymethyl)-4-nitrophenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991054
1-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-3-methoxypropan-2-ol
CID 63930861
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988442) is 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1ccc(OC)cc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ORXTVVVMKVAPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-17-5-6-19-9-12(16)10-20-14-4-3-13(18-2)7-11(14)8-15/h3-4,7,12,16H,5-6,8-10,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 285.34 g/mol, XLogP of 0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).