3-chloro-4-(3-morpholin-4-ylpropoxy)aniline

C13H19ClN2O2 — CID 123911683

IUPAC3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
SMILESNc1ccc(OCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c14-12-10-11(15)2-3-13(12)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9,15H2
InChIKeyAUKPINFKYBNWFK-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.02
Rot. Bonds5

About 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline

3-chloro-4-(3-morpholin-4-ylpropoxy)aniline (PubChem CID 123911683) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
PubChem CID123911683
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
SMILESNc1ccc(OCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c14-12-10-11(15)2-3-13(12)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9,15H2
InChIKeyAUKPINFKYBNWFK-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(3-morpholin-4-ylpropoxy)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

3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
3-chloro-4-[(E)-1-[6-(methylideneamino)-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-1-enoxy]aniline
CID 166930794
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909283
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
(2-amino-4,5-difluorophenyl)-(2-chlorophenyl)methanone;[2-amino-5-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-(2-chlorophenyl)methanone
CID 157172448
3-chloro-4-nonoxyaniline
CID 43129005
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline?
The IUPAC name of 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline (CID 123911683) is 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline.
What is the SMILES notation for 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline?
The canonical SMILES for 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline is Nc1ccc(OCCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline?
The InChIKey is AUKPINFKYBNWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-12-10-11(15)2-3-13(12)18-7-1-4-16-5-8-17-9-6-16/h2-3,10H,1,4-9,15H2.
What are the key properties of 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline?
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline has a molecular weight of 270.76 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-morpholin-4-ylpropoxy)aniline is sourced from PubChem (CID 123911683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).