(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium

C11H16ClN3O2 — CID 155903761

IUPAC(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium
SMILES[O-][NH2+]CNc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7,13H,3-6,8,14H2
InChIKeyUYQWSKJSWNDXMP-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.61
Rot. Bonds4

About (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium

(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium (PubChem CID 155903761) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium.

Molecular Properties

Compound Name(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium
PubChem CID155903761
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium
SMILES[O-][NH2+]CNc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7,13H,3-6,8,14H2
InChIKeyUYQWSKJSWNDXMP-UHFFFAOYSA-N
XLogP0.61
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
5-[(3-chloro-4-morpholin-4-ylanilino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 39860577
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7326704
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
3-chloro-N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66542123
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
1-chloro-3-(3-chloro-4-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637936
2-chloro-4-[(2-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133299332
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium?
The IUPAC name of (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium (CID 155903761) is (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium.
What is the SMILES notation for (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium?
The canonical SMILES for (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium is [O-][NH2+]CNc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium?
The InChIKey is UYQWSKJSWNDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7,13H,3-6,8,14H2.
What are the key properties of (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium?
(3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium has a molecular weight of 257.72 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-morpholin-4-ylanilino)methyl-oxidoazanium is sourced from PubChem (CID 155903761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).