4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol

C15H26N2O — CID 66453390

IUPAC4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol
SMILESCCNC(C)C(C)(C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-6-16-12(2)15(3,4)11-17(5)13-7-9-14(18)10-8-13/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyHOWDYGBVCRRPJQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.85
Rot. Bonds6

About 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol

4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol (PubChem CID 66453390) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol
PubChem CID66453390
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol
SMILESCCNC(C)C(C)(C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H26N2O/c1-6-16-12(2)15(3,4)11-17(5)13-7-9-14(18)10-8-13/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyHOWDYGBVCRRPJQ-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol?
The IUPAC name of 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol (CID 66453390) is 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol.
What is the SMILES notation for 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol?
The canonical SMILES for 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol is CCNC(C)C(C)(C)CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol?
The InChIKey is HOWDYGBVCRRPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-16-12(2)15(3,4)11-17(5)13-7-9-14(18)10-8-13/h7-10,12,16,18H,6,11H2,1-5H3.
What are the key properties of 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol?
4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol is sourced from PubChem (CID 66453390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).