2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine

C10H13ClN2O3 — CID 63990575

IUPAC2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
SMILESCCNCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-2-12-5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7,12H,2,5-6H2,1H3
InChIKeyRMUZXSZHCAGQMI-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine

2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine (PubChem CID 63990575) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
PubChem CID63990575
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
SMILESCCNCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-2-12-5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7,12H,2,5-6H2,1H3
InChIKeyRMUZXSZHCAGQMI-UHFFFAOYSA-N
XLogP2.24
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
1-chloro-2-[3-(2-methoxyethoxy)propoxy]-4-nitrobenzene
CID 103415777
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762
(2-chloro-4-nitrophenyl) 2-(ethylamino)ethyl hydrogen phosphate
CID 131858451
N-[2-(2-methyl-4-nitrophenoxy)ethyl]propan-1-amine
CID 62348383
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
ethyl 2-amino-4-(2-chloro-5-nitrophenoxy)butanoate
CID 63990596
3-(2-chloro-5-nitrophenoxy)-2-(ethylamino)propanoic acid
CID 63992973
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
1-(2-chloro-5-nitrophenoxy)pentan-2-one
CID 63990783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine (CID 63990575) is 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine is CCNCCOc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine?
The InChIKey is RMUZXSZHCAGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-2-12-5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine?
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine has a molecular weight of 244.68 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine is sourced from PubChem (CID 63990575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).