2-[(2-propan-2-yloxyethylamino)methyl]phenol

C12H19NO2 — CID 104588313

IUPAC2-[(2-propan-2-yloxyethylamino)methyl]phenol
SMILESCC(C)OCCNCc1ccccc1O
InChIInChI=1S/C12H19NO2/c1-10(2)15-8-7-13-9-11-5-3-4-6-12(11)14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyZWWWQEVQLQYSKJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds6

About 2-[(2-propan-2-yloxyethylamino)methyl]phenol

2-[(2-propan-2-yloxyethylamino)methyl]phenol (PubChem CID 104588313) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxyethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-propan-2-yloxyethylamino)methyl]phenol
PubChem CID104588313
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(2-propan-2-yloxyethylamino)methyl]phenol
SMILESCC(C)OCCNCc1ccccc1O
InChIInChI=1S/C12H19NO2/c1-10(2)15-8-7-13-9-11-5-3-4-6-12(11)14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyZWWWQEVQLQYSKJ-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
4-bromo-2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588373
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
4-[(3-propan-2-yloxypropylamino)methyl]benzene-1,3-diol
CID 28726669
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[(2-methyl-3-nitrophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104760132
2-(ethylaminomethyl)phenol
CID 12995218

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxyethylamino)methyl]phenol?
The IUPAC name of 2-[(2-propan-2-yloxyethylamino)methyl]phenol (CID 104588313) is 2-[(2-propan-2-yloxyethylamino)methyl]phenol.
What is the SMILES notation for 2-[(2-propan-2-yloxyethylamino)methyl]phenol?
The canonical SMILES for 2-[(2-propan-2-yloxyethylamino)methyl]phenol is CC(C)OCCNCc1ccccc1O.
What is the InChIKey of 2-[(2-propan-2-yloxyethylamino)methyl]phenol?
The InChIKey is ZWWWQEVQLQYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)15-8-7-13-9-11-5-3-4-6-12(11)14/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-[(2-propan-2-yloxyethylamino)methyl]phenol?
2-[(2-propan-2-yloxyethylamino)methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxyethylamino)methyl]phenol is sourced from PubChem (CID 104588313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).