N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride

C10H15Cl2N3O — CID 175806924

IUPACN'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride
SMILESCC(C)Oc1cc(C(N)=NN)ccc1Cl.Cl
InChIInChI=1S/C10H14ClN3O.ClH/c1-6(2)15-9-5-7(10(12)14-13)3-4-8(9)11;/h3-6H,13H2,1-2H3,(H2,12,14);1H
InChIKeyWJQKAYGFIRBMHY-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.13
Rot. Bonds3

About N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride

N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride (PubChem CID 175806924) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride
PubChem CID175806924
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC NameN'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride
SMILESCC(C)Oc1cc(C(N)=NN)ccc1Cl.Cl
InChIInChI=1S/C10H14ClN3O.ClH/c1-6(2)15-9-5-7(10(12)14-13)3-4-8(9)11;/h3-6H,13H2,1-2H3,(H2,12,14);1H
InChIKeyWJQKAYGFIRBMHY-UHFFFAOYSA-N
XLogP2.13
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride?
The IUPAC name of N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride (CID 175806924) is N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride is CC(C)Oc1cc(C(N)=NN)ccc1Cl.Cl.
What is the InChIKey of N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride?
The InChIKey is WJQKAYGFIRBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O.ClH/c1-6(2)15-9-5-7(10(12)14-13)3-4-8(9)11;/h3-6H,13H2,1-2H3,(H2,12,14);1H.
What are the key properties of N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride?
N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride has a molecular weight of 264.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 175806924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).