3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol

C14H23NO4 — CID 82849319

IUPAC3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
SMILESCOc1ccc(CNC(C)C)c(OCC(O)CO)c1
InChIInChI=1S/C14H23NO4/c1-10(2)15-7-11-4-5-13(18-3)6-14(11)19-9-12(17)8-16/h4-6,10,12,15-17H,7-9H2,1-3H3
InChIKeyLDFMNWYUHVRWGO-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.93
Rot. Bonds8

About 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol

3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol (PubChem CID 82849319) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
PubChem CID82849319
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
SMILESCOc1ccc(CNC(C)C)c(OCC(O)CO)c1
InChIInChI=1S/C14H23NO4/c1-10(2)15-7-11-4-5-13(18-3)6-14(11)19-9-12(17)8-16/h4-6,10,12,15-17H,7-9H2,1-3H3
InChIKeyLDFMNWYUHVRWGO-UHFFFAOYSA-N
XLogP0.93
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol (CID 82849319) is 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol is COc1ccc(CNC(C)C)c(OCC(O)CO)c1.
What is the InChIKey of 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol?
The InChIKey is LDFMNWYUHVRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(2)15-7-11-4-5-13(18-3)6-14(11)19-9-12(17)8-16/h4-6,10,12,15-17H,7-9H2,1-3H3.
What are the key properties of 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol?
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 82849319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).