1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol

C17H29NO3 — CID 63930228

IUPAC1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(C)cc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO3/c1-12-7-14(9-18-17(3,4)5)8-13(2)16(12)21-11-15(19)10-20-6/h7-8,15,18-19H,9-11H2,1-6H3
InChIKeyLNFAEDSLRUUSCC-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.58
Rot. Bonds7

About 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol

1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol (PubChem CID 63930228) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
PubChem CID63930228
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(C)cc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO3/c1-12-7-14(9-18-17(3,4)5)8-13(2)16(12)21-11-15(19)10-20-6/h7-8,15,18-19H,9-11H2,1-6H3
InChIKeyLNFAEDSLRUUSCC-UHFFFAOYSA-N
XLogP2.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
methyl 3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propanoate
CID 63948895
N-[[3,5-dimethyl-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63501581
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 63501583
3-[4-(hydroxymethyl)-2,6-dimethylphenoxy]propane-1,2-diol
CID 82850178
1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
2-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]butanoic acid
CID 64669918
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol (CID 63930228) is 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol is COCC(O)COc1c(C)cc(CNC(C)(C)C)cc1C.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol?
The InChIKey is LNFAEDSLRUUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12-7-14(9-18-17(3,4)5)8-13(2)16(12)21-11-15(19)10-20-6/h7-8,15,18-19H,9-11H2,1-6H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol?
1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63930228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).