1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol

C14H23NO4 — CID 63987369

IUPAC1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN)c(OCC(O)COC(C)C)c1
InChIInChI=1S/C14H23NO4/c1-10(2)18-8-12(16)9-19-14-6-13(17-3)5-4-11(14)7-15/h4-6,10,12,16H,7-9,15H2,1-3H3
InChIKeyOOYRGQOQNRHRJQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.32
Rot. Bonds8

About 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol

1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 63987369) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
PubChem CID63987369
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN)c(OCC(O)COC(C)C)c1
InChIInChI=1S/C14H23NO4/c1-10(2)18-8-12(16)9-19-14-6-13(17-3)5-4-11(14)7-15/h4-6,10,12,16H,7-9,15H2,1-3H3
InChIKeyOOYRGQOQNRHRJQ-UHFFFAOYSA-N
XLogP1.32
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988442
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
1-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-3-methoxypropan-2-ol
CID 63930861
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol (CID 63987369) is 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol is COc1ccc(CN)c(OCC(O)COC(C)C)c1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is OOYRGQOQNRHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(2)18-8-12(16)9-19-14-6-13(17-3)5-4-11(14)7-15/h4-6,10,12,16H,7-9,15H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol?
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63987369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).