4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol

C15H26N2O — CID 62263957

IUPAC4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol
SMILESCCC(CC)(CNC)CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,11-16-3)12-17(4)13-7-9-14(18)10-8-13/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyOHAZALHTHBOPMS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.85
Rot. Bonds7

About 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol

4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol (PubChem CID 62263957) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol
PubChem CID62263957
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol
SMILESCCC(CC)(CNC)CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,11-16-3)12-17(4)13-7-9-14(18)10-8-13/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyOHAZALHTHBOPMS-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol?
The IUPAC name of 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol (CID 62263957) is 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol is CCC(CC)(CNC)CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol?
The InChIKey is OHAZALHTHBOPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(6-2,11-16-3)12-17(4)13-7-9-14(18)10-8-13/h7-10,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol?
4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol is sourced from PubChem (CID 62263957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).