2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine

C14H21ClN6O — CID 168602298

IUPAC2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine
SMILESCC1CN(c2ccc(/N=C(\N)N=C(N)N)cc2Cl)CC(C)O1
InChIInChI=1S/C14H21ClN6O/c1-8-6-21(7-9(2)22-8)12-4-3-10(5-11(12)15)19-14(18)20-13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H6,16,17,18,19,20)
InChIKeyWKVXHOZRYUBGMS-UHFFFAOYSA-N
MW324.82 g/mol
LogP1.17
Rot. Bonds2

About 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine

2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine (PubChem CID 168602298) has the molecular formula C14H21ClN6O and a molecular weight of 324.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine
PubChem CID168602298
Molecular FormulaC14H21ClN6O
Molecular Weight324.82 g/mol
Exact Mass324.15
IUPAC Name2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine
SMILESCC1CN(c2ccc(/N=C(\N)N=C(N)N)cc2Cl)CC(C)O1
InChIInChI=1S/C14H21ClN6O/c1-8-6-21(7-9(2)22-8)12-4-3-10(5-11(12)15)19-14(18)20-13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H6,16,17,18,19,20)
InChIKeyWKVXHOZRYUBGMS-UHFFFAOYSA-N
XLogP1.17
TPSA115.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine 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-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604135
2-[3-chloro-4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605218
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939185
2-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-(diaminomethylidene)guanidine
CID 168603557
(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
CID 129268171
3-chloro-4-(2,6-dimethylmorpholin-4-yl)benzonitrile
CID 63088038
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
3-chloro-4-(2-methyl-1,4-oxazepan-4-yl)benzenecarbothioamide
CID 63088961
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004286

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine (CID 168602298) is 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine is CC1CN(c2ccc(/N=C(\N)N=C(N)N)cc2Cl)CC(C)O1.
What is the InChIKey of 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine?
The InChIKey is WKVXHOZRYUBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6O/c1-8-6-21(7-9(2)22-8)12-4-3-10(5-11(12)15)19-14(18)20-13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H6,16,17,18,19,20).
What are the key properties of 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine?
2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine has a molecular weight of 324.82 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168602298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).