N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide

C15H22ClN3O — CID 62227615

IUPACN-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide
SMILESCC(Oc1cccc(Cl)c1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H22ClN3O/c1-11(20-14-9-5-6-12(16)10-14)15(19-17)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyOMIABSALDXHTCU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds4

About N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide

N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide (PubChem CID 62227615) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide
PubChem CID62227615
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide
SMILESCC(Oc1cccc(Cl)c1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H22ClN3O/c1-11(20-14-9-5-6-12(16)10-14)15(19-17)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyOMIABSALDXHTCU-UHFFFAOYSA-N
XLogP3.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide 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-chlorophenoxy)propanehydrazide
CID 2832641
N-amino-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 61363511
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
CID 62504643
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
3-amino-1-[(3-chlorophenyl)methyl]-2-cyclohexyl-1-methylguanidine
CID 116513862
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide?
The IUPAC name of N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide (CID 62227615) is N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide.
What is the SMILES notation for N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide?
The canonical SMILES for N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide is CC(Oc1cccc(Cl)c1)/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide?
The InChIKey is OMIABSALDXHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(20-14-9-5-6-12(16)10-14)15(19-17)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,17H2,1H3,(H,18,19).
What are the key properties of N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide?
N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide has a molecular weight of 295.81 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide is sourced from PubChem (CID 62227615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).