4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine

C13H17BrClNO — CID 115598233

IUPAC4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
SMILESCCC1CN(Cc2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C13H17BrClNO/c1-2-12-9-16(5-6-17-12)8-10-3-4-11(14)7-13(10)15/h3-4,7,12H,2,5-6,8-9H2,1H3
InChIKeyLRPSNGDQRXOCRL-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.71
Rot. Bonds3

About 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine

4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine (PubChem CID 115598233) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
PubChem CID115598233
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
SMILESCCC1CN(Cc2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C13H17BrClNO/c1-2-12-9-16(5-6-17-12)8-10-3-4-11(14)7-13(10)15/h3-4,7,12H,2,5-6,8-9H2,1H3
InChIKeyLRPSNGDQRXOCRL-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine 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-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
(3S)-1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperazine
CID 103885703

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine?
The IUPAC name of 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine (CID 115598233) is 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine?
The canonical SMILES for 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine is CCC1CN(Cc2ccc(Br)cc2Cl)CCO1.
What is the InChIKey of 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine?
The InChIKey is LRPSNGDQRXOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-2-12-9-16(5-6-17-12)8-10-3-4-11(14)7-13(10)15/h3-4,7,12H,2,5-6,8-9H2,1H3.
What are the key properties of 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine?
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine has a molecular weight of 318.64 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine is sourced from PubChem (CID 115598233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).