4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol

C14H20BrNO2 — CID 112553400

IUPAC4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
SMILESCCC1CN(Cc2cc(Br)cc(C)c2O)CCO1
InChIInChI=1S/C14H20BrNO2/c1-3-13-9-16(4-5-18-13)8-11-7-12(15)6-10(2)14(11)17/h6-7,13,17H,3-5,8-9H2,1-2H3
InChIKeyYEMVUXDHQJZTHY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.07
Rot. Bonds3

About 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol

4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol (PubChem CID 112553400) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol.

Molecular Properties

Compound Name4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
PubChem CID112553400
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
SMILESCCC1CN(Cc2cc(Br)cc(C)c2O)CCO1
InChIInChI=1S/C14H20BrNO2/c1-3-13-9-16(4-5-18-13)8-11-7-12(15)6-10(2)14(11)17/h6-7,13,17H,3-5,8-9H2,1-2H3
InChIKeyYEMVUXDHQJZTHY-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol 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

4-bromo-2-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553630
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
4-bromo-2-methyl-6-[(4-propylpiperazin-1-yl)methyl]phenol
CID 112553308
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-4-bromo-6-methylphenol
CID 115903877
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621103
4-bromo-2-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol
CID 112553412
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 112553577
4-bromo-2-methyl-6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenol
CID 115904024
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol?
The IUPAC name of 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol (CID 112553400) is 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol.
What is the SMILES notation for 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol?
The canonical SMILES for 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol is CCC1CN(Cc2cc(Br)cc(C)c2O)CCO1.
What is the InChIKey of 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol?
The InChIKey is YEMVUXDHQJZTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-13-9-16(4-5-18-13)8-11-7-12(15)6-10(2)14(11)17/h6-7,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol?
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol has a molecular weight of 314.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol is sourced from PubChem (CID 112553400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).