4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

C18H26BrNO6 — CID 2934524

IUPAC4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccccc2Br)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24BrNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-5-6-10-19-16-8-4-3-7-15(16)17;3-1(4)2(5)6/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIAXRSSPITDPNQJ-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.87
Rot. Bonds6

About 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid

4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2934524) has the molecular formula C18H26BrNO6 and a molecular weight of 432.31 g/mol. Its IUPAC name is 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2934524
Molecular FormulaC18H26BrNO6
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccccc2Br)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24BrNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-5-6-10-19-16-8-4-3-7-15(16)17;3-1(4)2(5)6/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIAXRSSPITDPNQJ-UHFFFAOYSA-N
XLogP2.87
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid 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

2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid (CID 2934524) is 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is CC1CN(CCCCOc2ccccc2Br)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is IAXRSSPITDPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2.C2H2O4/c1-13-11-18(12-14(2)20-13)9-5-6-10-19-16-8-4-3-7-15(16)17;3-1(4)2(5)6/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid?
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 432.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2934524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).