2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol

C15H26N2O — CID 79660854

IUPAC2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
SMILESCCN(CC(C)(C)CN)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3
InChIKeyNJPYZAFLEZCSHX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol

2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol (PubChem CID 79660854) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
PubChem CID79660854
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
SMILESCCN(CC(C)(C)CN)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3
InChIKeyNJPYZAFLEZCSHX-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol (CID 79660854) is 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol is CCN(CC(C)(C)CN)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
The InChIKey is NJPYZAFLEZCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(11-15(3,4)10-16)12(2)13-8-6-7-9-14(13)18/h6-9,12,18H,5,10-11,16H2,1-4H3.
What are the key properties of 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol?
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol is sourced from PubChem (CID 79660854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).