2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid

C18H25Cl2NO6 — CID 70056822

IUPAC2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid
SMILESCCCCCN1CCOC(COc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(=O)O
InChIInChI=1S/C16H23Cl2NO2.C2H2O4/c1-2-3-4-7-19-8-9-20-14(11-19)12-21-13-5-6-15(17)16(18)10-13;3-1(4)2(5)6/h5-6,10,14H,2-4,7-9,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyUNKBPEPODSGPCA-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.42
Rot. Bonds7

About 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid

2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid (PubChem CID 70056822) has the molecular formula C18H25Cl2NO6 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid
PubChem CID70056822
Molecular FormulaC18H25Cl2NO6
Molecular Weight422.31 g/mol
Exact Mass421.11
IUPAC Name2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid
SMILESCCCCCN1CCOC(COc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(=O)O
InChIInChI=1S/C16H23Cl2NO2.C2H2O4/c1-2-3-4-7-19-8-9-20-14(11-19)12-21-13-5-6-15(17)16(18)10-13;3-1(4)2(5)6/h5-6,10,14H,2-4,7-9,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyUNKBPEPODSGPCA-UHFFFAOYSA-N
XLogP3.42
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.42
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 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;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

(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(2R)-2-[(4-bromophenoxy)methyl]-4-propylmorpholine
CID 99979881
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
(3S,4S)-4-[2-(3,4-dichlorophenoxy)ethyl]-3-(3-methylbut-2-enoxy)-1-pentylpiperidine;oxalic acid
CID 160866816
4-dodecyl-2-ethylmorpholine
CID 4616518
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
(3S,4R)-3-[(3,4-dichlorophenoxy)methyl]-1-pentyl-4-thiophen-3-ylpiperidine
CID 160548482
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 102724337
2-benzyl-4-dodecylmorpholine
CID 70634633

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid?
The IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid (CID 70056822) is 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid?
The canonical SMILES for 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid is CCCCCN1CCOC(COc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid?
The InChIKey is UNKBPEPODSGPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2.C2H2O4/c1-2-3-4-7-19-8-9-20-14(11-19)12-21-13-5-6-15(17)16(18)10-13;3-1(4)2(5)6/h5-6,10,14H,2-4,7-9,11-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid?
2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid has a molecular weight of 422.31 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenoxy)methyl]-4-pentylmorpholine;oxalic acid is sourced from PubChem (CID 70056822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).