2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol

C13H22N2O2 — CID 81059455

IUPAC2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
SMILESCC(C)OCCN(C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-7-6-15(3)9-11-4-5-13(16)12(14)8-11/h4-5,8,10,16H,6-7,9,14H2,1-3H3
InChIKeyPJGDVKMFXOXWBQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol

2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol (PubChem CID 81059455) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
PubChem CID81059455
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
SMILESCC(C)OCCN(C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-7-6-15(3)9-11-4-5-13(16)12(14)8-11/h4-5,8,10,16H,6-7,9,14H2,1-3H3
InChIKeyPJGDVKMFXOXWBQ-UHFFFAOYSA-N
XLogP1.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]boronic acid
CID 81061421
3-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 81061798
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
5-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The IUPAC name of 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol (CID 81059455) is 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The canonical SMILES for 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol is CC(C)OCCN(C)Cc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The InChIKey is PJGDVKMFXOXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)17-7-6-15(3)9-11-4-5-13(16)12(14)8-11/h4-5,8,10,16H,6-7,9,14H2,1-3H3.
What are the key properties of 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol is sourced from PubChem (CID 81059455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).