2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol

C13H20BrNO2 — CID 82982903

IUPAC2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
SMILESCC(C)OCCN(C)Cc1cccc(Br)c1O
InChIInChI=1S/C13H20BrNO2/c1-10(2)17-8-7-15(3)9-11-5-4-6-12(14)13(11)16/h4-6,10,16H,7-9H2,1-3H3
InChIKeyKGPXMIFKQWLSPV-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.01
Rot. Bonds6

About 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol

2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol (PubChem CID 82982903) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
PubChem CID82982903
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
SMILESCC(C)OCCN(C)Cc1cccc(Br)c1O
InChIInChI=1S/C13H20BrNO2/c1-10(2)17-8-7-15(3)9-11-5-4-6-12(14)13(11)16/h4-6,10,16H,7-9H2,1-3H3
InChIKeyKGPXMIFKQWLSPV-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
3-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059371
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
5-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-6-nitrobenzoic acid
CID 104825999
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059577
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]boronic acid
CID 81061421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol (CID 82982903) is 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol is CC(C)OCCN(C)Cc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
The InChIKey is KGPXMIFKQWLSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10(2)17-8-7-15(3)9-11-5-4-6-12(14)13(11)16/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol?
2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol has a molecular weight of 302.21 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol is sourced from PubChem (CID 82982903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).