1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C15H25NO3 — CID 115475920

IUPAC1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1cc(C)ccc1OCC(O)CNCC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)8-16-9-13(17)10-19-14-6-5-12(3)7-15(14)18-4/h5-7,11,13,16-17H,8-10H2,1-4H3
InChIKeyNGSJEUMIESNRCR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.99
Rot. Bonds8

About 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115475920) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID115475920
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCOc1cc(C)ccc1OCC(O)CNCC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)8-16-9-13(17)10-19-14-6-5-12(3)7-15(14)18-4/h5-7,11,13,16-17H,8-10H2,1-4H3
InChIKeyNGSJEUMIESNRCR-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 2293480
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 115475920) is 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is COc1cc(C)ccc1OCC(O)CNCC(C)C.
What is the InChIKey of 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is NGSJEUMIESNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)8-16-9-13(17)10-19-14-6-5-12(3)7-15(14)18-4/h5-7,11,13,16-17H,8-10H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115475920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).