1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol

C15H25NO2 — CID 63326862

IUPAC1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
SMILESCc1ccc(OCC(C)O)c(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11-6-7-14(18-10-12(2)17)13(8-11)9-16-15(3,4)5/h6-8,12,16-17H,9-10H2,1-5H3
InChIKeyHAJFPYVEWLBJKR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol

1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol (PubChem CID 63326862) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
PubChem CID63326862
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
SMILESCc1ccc(OCC(C)O)c(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11-6-7-14(18-10-12(2)17)13(8-11)9-16-15(3,4)5/h6-8,12,16-17H,9-10H2,1-5H3
InChIKeyHAJFPYVEWLBJKR-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-1-ol
CID 114266691
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
CID 114492105
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol (CID 63326862) is 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol is Cc1ccc(OCC(C)O)c(CNC(C)(C)C)c1.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol?
The InChIKey is HAJFPYVEWLBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-6-7-14(18-10-12(2)17)13(8-11)9-16-15(3,4)5/h6-8,12,16-17H,9-10H2,1-5H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol?
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol is sourced from PubChem (CID 63326862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).