1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol

C15H25NO3 — CID 115609480

IUPAC1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOCC(C)(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-15(2,3)11-18-4/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyDZNYGOWLWGCSHW-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.75
Rot. Bonds8

About 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol

1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 115609480) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID115609480
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCOCC(C)(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-15(2,3)11-18-4/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyDZNYGOWLWGCSHW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
CID 2770265
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 97238525
1-(3-methylphenoxy)butan-2-ol
CID 13089920
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol (CID 115609480) is 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol is COCC(C)(C)NCC(O)COc1cccc(C)c1.
What is the InChIKey of 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is DZNYGOWLWGCSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-15(2,3)11-18-4/h5-8,13,16-17H,9-11H2,1-4H3.
What are the key properties of 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 115609480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).