3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline

C17H18Cl2N2O — CID 18778325

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESClc1ccccc1CNc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-15-4-2-1-3-13(15)12-20-14-5-6-17(16(19)11-14)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2
InChIKeyADKBKGCEZFSZAW-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.44
Rot. Bonds4

About 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline

3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 18778325) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID18778325
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESClc1ccccc1CNc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-15-4-2-1-3-13(15)12-20-14-5-6-17(16(19)11-14)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2
InChIKeyADKBKGCEZFSZAW-UHFFFAOYSA-N
XLogP4.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline 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-chloro-4-[(2-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133299332
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727900
(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium
CID 155903761
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66542853
3-chloro-N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66542123
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7326704
5-[(3-chloro-4-morpholin-4-ylanilino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 39860577
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66544727
4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one
CID 58447220
3-chloro-N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-morpholin-4-ylaniline
CID 66540032
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline (CID 18778325) is 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline is Clc1ccccc1CNc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is ADKBKGCEZFSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-15-4-2-1-3-13(15)12-20-14-5-6-17(16(19)11-14)21-7-9-22-10-8-21/h1-6,11,20H,7-10,12H2.
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 337.25 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 18778325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).