1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol

C15H25NO3 — CID 112610151

IUPAC1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
SMILESCOCC(O)COc1c(C)cccc1CNC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)16-8-13-7-5-6-12(3)15(13)19-10-14(17)9-18-4/h5-7,11,14,16-17H,8-10H2,1-4H3
InChIKeyUZFWXPRAEOIJST-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.88
Rot. Bonds8

About 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol

1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol (PubChem CID 112610151) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
PubChem CID112610151
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
SMILESCOCC(O)COc1c(C)cccc1CNC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)16-8-13-7-5-6-12(3)15(13)19-10-14(17)9-18-4/h5-7,11,14,16-17H,8-10H2,1-4H3
InChIKeyUZFWXPRAEOIJST-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol
CID 107262387
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
CID 54994011
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol (CID 112610151) is 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol is COCC(O)COc1c(C)cccc1CNC(C)C.
What is the InChIKey of 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is UZFWXPRAEOIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)16-8-13-7-5-6-12(3)15(13)19-10-14(17)9-18-4/h5-7,11,14,16-17H,8-10H2,1-4H3.
What are the key properties of 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 112610151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).