N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol

C17H25N3O — CID 20979783

IUPACN-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol
SMILESCCNCC.Cc1cc(Nc2ccc(O)c(C)c2)ccn1
InChIInChI=1S/C13H14N2O.C4H11N/c1-9-7-11(3-4-13(9)16)15-12-5-6-14-10(2)8-12;1-3-5-4-2/h3-8,16H,1-2H3,(H,14,15);5H,3-4H2,1-2H3
InChIKeyISJMUJDZEJWCOJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.76
Rot. Bonds4

About N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol

N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol (PubChem CID 20979783) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol.

Molecular Properties

Compound NameN-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol
PubChem CID20979783
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol
SMILESCCNCC.Cc1cc(Nc2ccc(O)c(C)c2)ccn1
InChIInChI=1S/C13H14N2O.C4H11N/c1-9-7-11(3-4-13(9)16)15-12-5-6-14-10(2)8-12;1-3-5-4-2/h3-8,16H,1-2H3,(H,14,15);5H,3-4H2,1-2H3
InChIKeyISJMUJDZEJWCOJ-UHFFFAOYSA-N
XLogP3.76
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol?
The IUPAC name of N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol (CID 20979783) is N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol.
What is the SMILES notation for N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol?
The canonical SMILES for N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol is CCNCC.Cc1cc(Nc2ccc(O)c(C)c2)ccn1.
What is the InChIKey of N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol?
The InChIKey is ISJMUJDZEJWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C4H11N/c1-9-7-11(3-4-13(9)16)15-12-5-6-14-10(2)8-12;1-3-5-4-2/h3-8,16H,1-2H3,(H,14,15);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol?
N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol has a molecular weight of 287.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-methyl-4-[(2-methyl-4-pyridinyl)amino]phenol is sourced from PubChem (CID 20979783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).