(5-nitro-2-prop-2-enoxyphenyl)methanamine

C10H12N2O3 — CID 60889967

IUPAC(5-nitro-2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C10H12N2O3/c1-2-5-15-10-4-3-9(12(13)14)6-8(10)7-11/h2-4,6H,1,5,7,11H2
InChIKeyVMHNQAPMPPAXLH-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.62
Rot. Bonds5

About (5-nitro-2-prop-2-enoxyphenyl)methanamine

(5-nitro-2-prop-2-enoxyphenyl)methanamine (PubChem CID 60889967) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (5-nitro-2-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-nitro-2-prop-2-enoxyphenyl)methanamine
PubChem CID60889967
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(5-nitro-2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc([N+](=O)[O-])cc1CN
InChIInChI=1S/C10H12N2O3/c1-2-5-15-10-4-3-9(12(13)14)6-8(10)7-11/h2-4,6H,1,5,7,11H2
InChIKeyVMHNQAPMPPAXLH-UHFFFAOYSA-N
XLogP1.62
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
[2-(2-methylidenebutoxy)-5-nitrophenyl]methanamine
CID 66046616
(2-but-3-ynoxy-5-nitrophenyl)methanamine
CID 60889383
4-nitro-1-(4-nitro-2-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 87648427
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
1-[2-(aminomethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 114491767
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
1-[2-(aminomethyl)-4-nitrophenoxy]-2,3-dimethylbutan-2-ol
CID 114491769
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
CID 102880371

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-prop-2-enoxyphenyl)methanamine?
The IUPAC name of (5-nitro-2-prop-2-enoxyphenyl)methanamine (CID 60889967) is (5-nitro-2-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for (5-nitro-2-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for (5-nitro-2-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc([N+](=O)[O-])cc1CN.
What is the InChIKey of (5-nitro-2-prop-2-enoxyphenyl)methanamine?
The InChIKey is VMHNQAPMPPAXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-5-15-10-4-3-9(12(13)14)6-8(10)7-11/h2-4,6H,1,5,7,11H2.
What are the key properties of (5-nitro-2-prop-2-enoxyphenyl)methanamine?
(5-nitro-2-prop-2-enoxyphenyl)methanamine has a molecular weight of 208.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 60889967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).