[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine

C13H10Cl2N2O3 — CID 107717651

IUPAC[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O3/c14-9-4-5-12(8(6-9)7-16)20-13-10(15)2-1-3-11(13)17(18)19/h1-6H,7,16H2
InChIKeyNEXFVDHGDXPLAA-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.15
Rot. Bonds4

About [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine

[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine (PubChem CID 107717651) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
PubChem CID107717651
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O3/c14-9-4-5-12(8(6-9)7-16)20-13-10(15)2-1-3-11(13)17(18)19/h1-6H,7,16H2
InChIKeyNEXFVDHGDXPLAA-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

[4-bromo-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717685
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
[5-chloro-2-(2,5-difluoro-4-nitrophenoxy)phenyl]methanamine
CID 114857292
[5-chloro-2-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 114857139
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107717664
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
CID 63745768
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine (CID 107717651) is [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine is NCc1cc(Cl)ccc1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine?
The InChIKey is NEXFVDHGDXPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c14-9-4-5-12(8(6-9)7-16)20-13-10(15)2-1-3-11(13)17(18)19/h1-6H,7,16H2.
What are the key properties of [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine?
[5-chloro-2-(2-chloro-6-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 [5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 107717651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).