N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline

C12H16Cl2N2O2 — CID 142799192

IUPACN,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
SMILESClN(Cl)c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C12H16Cl2N2O2/c13-16(14)11-3-1-2-4-12(11)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2
InChIKeyQNEHIDAMRUAGEX-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.51
Rot. Bonds5

About N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline

N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline (PubChem CID 142799192) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound NameN,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
PubChem CID142799192
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
SMILESClN(Cl)c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C12H16Cl2N2O2/c13-16(14)11-3-1-2-4-12(11)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2
InChIKeyQNEHIDAMRUAGEX-UHFFFAOYSA-N
XLogP2.51
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline 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

N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline (CID 142799192) is N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline is ClN(Cl)c1ccccc1OCCN1CCOCC1.
What is the InChIKey of N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is QNEHIDAMRUAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c13-16(14)11-3-1-2-4-12(11)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2.
What are the key properties of N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline?
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 291.18 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 142799192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).