2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine

C14H20BrNO2 — CID 81213290

IUPAC2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
SMILESCOc1ccc(C)cc1CN1CCOC(CBr)C1
InChIInChI=1S/C14H20BrNO2/c1-11-3-4-14(17-2)12(7-11)9-16-5-6-18-13(8-15)10-16/h3-4,7,13H,5-6,8-10H2,1-2H3
InChIKeyUUNXEWJLGKUHHP-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.60
Rot. Bonds4

About 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine

2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine (PubChem CID 81213290) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
PubChem CID81213290
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
SMILESCOc1ccc(C)cc1CN1CCOC(CBr)C1
InChIInChI=1S/C14H20BrNO2/c1-11-3-4-14(17-2)12(7-11)9-16-5-6-18-13(8-15)10-16/h3-4,7,13H,5-6,8-10H2,1-2H3
InChIKeyUUNXEWJLGKUHHP-UHFFFAOYSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine 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

(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
CID 46041207
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
CID 42861424
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine (CID 81213290) is 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine is COc1ccc(C)cc1CN1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine?
The InChIKey is UUNXEWJLGKUHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-3-4-14(17-2)12(7-11)9-16-5-6-18-13(8-15)10-16/h3-4,7,13H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine?
2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine has a molecular weight of 314.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine is sourced from PubChem (CID 81213290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).