1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol

C12H19NO3 — CID 60881863

IUPAC1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1ccc(OCC(C)O)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(14)8-16-11-5-4-10(7-13-2)6-12(11)15-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyYYRKMYSIFCUCCN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.17
Rot. Bonds6

About 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol

1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 60881863) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID60881863
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1ccc(OCC(C)O)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(14)8-16-11-5-4-10(7-13-2)6-12(11)15-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyYYRKMYSIFCUCCN-UHFFFAOYSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol (CID 60881863) is 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol is CNCc1ccc(OCC(C)O)c(OC)c1.
What is the InChIKey of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is YYRKMYSIFCUCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(14)8-16-11-5-4-10(7-13-2)6-12(11)15-3/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol?
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60881863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).