3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol

C11H17NO4 — CID 82843216

IUPAC3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
SMILESCOc1ccc(OCC(O)CO)c(CN)c1
InChIInChI=1S/C11H17NO4/c1-15-10-2-3-11(8(4-10)5-12)16-7-9(14)6-13/h2-4,9,13-14H,5-7,12H2,1H3
InChIKeyONDQHNDWZNFUII-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.11
Rot. Bonds6

About 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol

3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol (PubChem CID 82843216) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
PubChem CID82843216
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
SMILESCOc1ccc(OCC(O)CO)c(CN)c1
InChIInChI=1S/C11H17NO4/c1-15-10-2-3-11(8(4-10)5-12)16-7-9(14)6-13/h2-4,9,13-14H,5-7,12H2,1H3
InChIKeyONDQHNDWZNFUII-UHFFFAOYSA-N
XLogP-0.11
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988442
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987369
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988558
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol (CID 82843216) is 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol is COc1ccc(OCC(O)CO)c(CN)c1.
What is the InChIKey of 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol?
The InChIKey is ONDQHNDWZNFUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-10-2-3-11(8(4-10)5-12)16-7-9(14)6-13/h2-4,9,13-14H,5-7,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol?
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol is sourced from PubChem (CID 82843216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).