2-methyl-3-(2-nitrophenoxy)propanimidamide

C10H13N3O3 — CID 114995802

IUPAC2-methyl-3-(2-nitrophenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7(10(11)12)6-16-9-5-3-2-4-8(9)13(14)15/h2-5,7H,6H2,1H3,(H3,11,12)
InChIKeyJZJKLZGTCLIJFU-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.55
Rot. Bonds5

About 2-methyl-3-(2-nitrophenoxy)propanimidamide

2-methyl-3-(2-nitrophenoxy)propanimidamide (PubChem CID 114995802) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-3-(2-nitrophenoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-nitrophenoxy)propanimidamide
PubChem CID114995802
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-3-(2-nitrophenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7(10(11)12)6-16-9-5-3-2-4-8(9)13(14)15/h2-5,7H,6H2,1H3,(H3,11,12)
InChIKeyJZJKLZGTCLIJFU-UHFFFAOYSA-N
XLogP1.55
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbut-3-enoxy)-2-nitrobenzene
CID 57040148
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid
CID 134353759
3,3-dimethyl-2-[(2-nitrophenoxy)methyl]butane-1-sulfonamide
CID 65015232
3,3,3-trifluoro-2-[(5-fluoro-2-nitrophenoxy)methyl]propanimidamide
CID 103371013
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-2-nitrobenzene
CID 65014363
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
1-(4-bromophenyl)-2-(2-nitrophenoxy)ethanol
CID 110884570
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
1-(2-nitrophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 3409707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-nitrophenoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(2-nitrophenoxy)propanimidamide (CID 114995802) is 2-methyl-3-(2-nitrophenoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2-nitrophenoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(2-nitrophenoxy)propanimidamide is [H]/N=C(\N)C(C)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-(2-nitrophenoxy)propanimidamide?
The InChIKey is JZJKLZGTCLIJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(10(11)12)6-16-9-5-3-2-4-8(9)13(14)15/h2-5,7H,6H2,1H3,(H3,11,12).
What are the key properties of 2-methyl-3-(2-nitrophenoxy)propanimidamide?
2-methyl-3-(2-nitrophenoxy)propanimidamide has a molecular weight of 223.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-nitrophenoxy)propanimidamide is sourced from PubChem (CID 114995802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).