[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine

C10H11ClN2O3 — CID 60889770

IUPAC[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
SMILESC=C(Cl)COc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C10H11ClN2O3/c1-7(11)6-16-10-3-2-9(13(14)15)4-8(10)5-12/h2-4H,1,5-6,12H2
InChIKeyXAGRKFRUVMCQCG-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.18
Rot. Bonds5

About [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine

[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine (PubChem CID 60889770) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
PubChem CID60889770
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
SMILESC=C(Cl)COc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C10H11ClN2O3/c1-7(11)6-16-10-3-2-9(13(14)15)4-8(10)5-12/h2-4H,1,5-6,12H2
InChIKeyXAGRKFRUVMCQCG-UHFFFAOYSA-N
XLogP2.18
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylidenebutoxy)-5-nitrophenyl]methanamine
CID 66046616
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
[4-(2-chloroprop-2-enoxy)-3-nitrophenyl]methanamine
CID 60877749
[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
CID 107694806
1-[2-(aminomethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 114491767
1-[2-(aminomethyl)-4-nitrophenoxy]-2,3-dimethylbutan-2-ol
CID 114491769
(2-but-3-ynoxy-5-nitrophenyl)methanamine
CID 60889383
(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
CID 42624284
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine?
The IUPAC name of [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine (CID 60889770) is [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine.
What is the SMILES notation for [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine?
The canonical SMILES for [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine is C=C(Cl)COc1ccc([N+](=O)[O-])cc1CN.
What is the InChIKey of [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine?
The InChIKey is XAGRKFRUVMCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-7(11)6-16-10-3-2-9(13(14)15)4-8(10)5-12/h2-4H,1,5-6,12H2.
What are the key properties of [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine?
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine has a molecular weight of 242.66 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine is sourced from PubChem (CID 60889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).