2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol

C15H26N2O2 — CID 79659872

IUPAC2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)CC(C)(C)CN
InChIInChI=1S/C15H26N2O2/c1-5-17(11-15(2,3)10-16)9-12-8-13(19-4)6-7-14(12)18/h6-8,18H,5,9-11,16H2,1-4H3
InChIKeyCKBDBVXZKKKQOQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.21
Rot. Bonds7

About 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol

2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol (PubChem CID 79659872) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
PubChem CID79659872
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)CC(C)(C)CN
InChIInChI=1S/C15H26N2O2/c1-5-17(11-15(2,3)10-16)9-12-8-13(19-4)6-7-14(12)18/h6-8,18H,5,9-11,16H2,1-4H3
InChIKeyCKBDBVXZKKKQOQ-UHFFFAOYSA-N
XLogP2.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
N'-[(2,4-dimethoxyphenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660663
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-methoxyphenol
CID 79668627
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
3-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65324048
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660769

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol (CID 79659872) is 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol is CCN(Cc1cc(OC)ccc1O)CC(C)(C)CN.
What is the InChIKey of 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol?
The InChIKey is CKBDBVXZKKKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-17(11-15(2,3)10-16)9-12-8-13(19-4)6-7-14(12)18/h6-8,18H,5,9-11,16H2,1-4H3.
What are the key properties of 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol?
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 79659872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).