[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine

C13H11ClN2O3 — CID 54915300

IUPAC[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-11-7-10(16(17)18)5-6-13(11)19-12-4-2-1-3-9(12)8-15/h1-7H,8,15H2
InChIKeySKQFWWJJYUPORA-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.50
Rot. Bonds4

About [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine

[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine (PubChem CID 54915300) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
PubChem CID54915300
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-11-7-10(16(17)18)5-6-13(11)19-12-4-2-1-3-9(12)8-15/h1-7H,8,15H2
InChIKeySKQFWWJJYUPORA-UHFFFAOYSA-N
XLogP3.50
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.50
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-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
CID 62099310
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine (CID 54915300) is [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine is NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine?
The InChIKey is SKQFWWJJYUPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-11-7-10(16(17)18)5-6-13(11)19-12-4-2-1-3-9(12)8-15/h1-7H,8,15H2.
What are the key properties of [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine?
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine has a molecular weight of 278.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 54915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).