2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine

C9H11ClN2O3 — CID 62343808

IUPAC2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11ClN2O3/c10-9-5-8(12(13)14)2-1-7(9)6-15-4-3-11/h1-2,5H,3-4,6,11H2
InChIKeyBMNFRTJTHKZJAI-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.72
Rot. Bonds5

About 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine

2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine (PubChem CID 62343808) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
PubChem CID62343808
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11ClN2O3/c10-9-5-8(12(13)14)2-1-7(9)6-15-4-3-11/h1-2,5H,3-4,6,11H2
InChIKeyBMNFRTJTHKZJAI-UHFFFAOYSA-N
XLogP1.72
TPSA78.39 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 ≤ 51.72
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

N-[2-[(2-chloro-4-nitrophenyl)methoxy]ethyl]propan-1-amine
CID 62337246
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951
1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine
CID 66026879
1-chloro-2-(2-ethoxyethoxymethyl)-4-nitrobenzene
CID 43350428
3-[(4-chloro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344232
2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
1-chloro-4-nitro-2-(3,3,3-trifluoropropoxymethyl)benzene
CID 82956634
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
1-(2-chloro-4-nitrophenyl)-N-ethoxymethanamine
CID 64974333

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine?
The IUPAC name of 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine (CID 62343808) is 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine is NCCOCc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine?
The InChIKey is BMNFRTJTHKZJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-9-5-8(12(13)14)2-1-7(9)6-15-4-3-11/h1-2,5H,3-4,6,11H2.
What are the key properties of 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine?
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine has a molecular weight of 230.65 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine is sourced from PubChem (CID 62343808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).