N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide

C15H22ClN3O — CID 111088020

IUPACN'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18)
InChIKeyFGGNFMUOBAAMKP-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.26
Rot. Bonds3

About N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide

N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide (PubChem CID 111088020) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
PubChem CID111088020
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18)
InChIKeyFGGNFMUOBAAMKP-UHFFFAOYSA-N
XLogP2.26
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091110
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylpiperidine-1-carboximidamide
CID 110920365
4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110962793
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
CID 111088048
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111599802
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide (CID 111088020) is N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide is CC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The InChIKey is FGGNFMUOBAAMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide?
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide has a molecular weight of 295.81 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111088020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).