[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine

C13H10Cl2N2O3 — CID 62099310

IUPAC[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c14-10-5-9(17(18)19)6-11(15)13(10)20-12-4-2-1-3-8(12)7-16/h1-6H,7,16H2
InChIKeyCKGLISDIVFLZHQ-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.15
Rot. Bonds4

About [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine

[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine (PubChem CID 62099310) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
PubChem CID62099310
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c14-10-5-9(17(18)19)6-11(15)13(10)20-12-4-2-1-3-8(12)7-16/h1-6H,7,16H2
InChIKeyCKGLISDIVFLZHQ-UHFFFAOYSA-N
XLogP4.15
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.15
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-(bromomethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088258
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
1,3-dichloro-2-[2-(chloromethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 63565898
3-chloro-2-(2-chlorophenoxy)-5-nitrobenzoic acid
CID 107186652
2-[5-bromo-2-(chloromethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 63565722
2-[4-(bromomethyl)-2-chlorophenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088251
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine (CID 62099310) is [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine is NCc1ccccc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine?
The InChIKey is CKGLISDIVFLZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-10-5-9(17(18)19)6-11(15)13(10)20-12-4-2-1-3-8(12)7-16/h1-6H,7,16H2.
What are the key properties of [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine?
[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine has a molecular weight of 313.14 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 62099310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).