4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol

C18H32N2O — CID 62264322

IUPAC4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol
SMILESCCC(CC)(CNC(C)(C)C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(8-2,13-19-17(3,4)5)14-20(6)15-9-11-16(21)12-10-15/h9-12,19,21H,7-8,13-14H2,1-6H3
InChIKeyANKXLWQAPIMKNN-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.02
Rot. Bonds7

About 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol

4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol (PubChem CID 62264322) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol
PubChem CID62264322
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol
SMILESCCC(CC)(CNC(C)(C)C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(8-2,13-19-17(3,4)5)14-20(6)15-9-11-16(21)12-10-15/h9-12,19,21H,7-8,13-14H2,1-6H3
InChIKeyANKXLWQAPIMKNN-UHFFFAOYSA-N
XLogP4.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol?
The IUPAC name of 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol (CID 62264322) is 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol is CCC(CC)(CNC(C)(C)C)CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol?
The InChIKey is ANKXLWQAPIMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-18(8-2,13-19-17(3,4)5)14-20(6)15-9-11-16(21)12-10-15/h9-12,19,21H,7-8,13-14H2,1-6H3.
What are the key properties of 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol?
4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol has a molecular weight of 292.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(tert-butylamino)methyl]-2-ethylbutyl]-methylamino]phenol is sourced from PubChem (CID 62264322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).