1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine

C9H11ClN2O3 — CID 78993353

IUPAC1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
SMILESCCONCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H11ClN2O3/c1-2-15-11-6-7-5-8(12(13)14)3-4-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeyUDLSFICVMOUWMU-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine

1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine (PubChem CID 78993353) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
PubChem CID78993353
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine
SMILESCCONCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H11ClN2O3/c1-2-15-11-6-7-5-8(12(13)14)3-4-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeyUDLSFICVMOUWMU-UHFFFAOYSA-N
XLogP2.29
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.29
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

1-(2-chloro-4-nitrophenyl)-N-ethoxymethanamine
CID 64974333
1-(2-chloro-5-nitrophenyl)-N-(2-methylpropoxy)methanamine
CID 82708990
N-[(2-chloro-5-nitrophenyl)methyl]propan-1-amine
CID 43462195
1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
CID 43350428
N-[(2-chloro-5-nitrophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917801
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951
N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
CID 43462286
2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
N-[(2-chloro-5-nitrophenyl)methyl]-4-methyloxan-4-amine
CID 115758109
1-N-[(2-chloro-5-nitrophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43462316
2-[(2-chloro-5-nitrophenyl)methylamino]propan-1-ol
CID 43499430
N-[(2-chloro-5-nitrophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43462346

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine (CID 78993353) is 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine is CCONCc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine?
The InChIKey is UDLSFICVMOUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-2-15-11-6-7-5-8(12(13)14)3-4-9(7)10/h3-5,11H,2,6H2,1H3.
What are the key properties of 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine?
1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine has a molecular weight of 230.65 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-N-ethoxymethanamine is sourced from PubChem (CID 78993353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).