[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine

C14H12Cl2N2O3 — CID 60889382

IUPAC[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-12-2-1-3-13(16)11(12)8-21-14-5-4-10(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2
InChIKeyZLFHJNVVCPIHFB-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.94
Rot. Bonds5

About [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine

[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine (PubChem CID 60889382) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
PubChem CID60889382
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-12-2-1-3-13(16)11(12)8-21-14-5-4-10(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2
InChIKeyZLFHJNVVCPIHFB-UHFFFAOYSA-N
XLogP3.94
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.94
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-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
CID 63745768
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 107306792
(2-but-3-ynoxy-5-nitrophenyl)methanamine
CID 60889383
2-[[2-(chloromethyl)-4-nitrophenoxy]methyl]-1,3-difluorobenzene
CID 114930597
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine?
The IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine (CID 60889382) is [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine is NCc1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine?
The InChIKey is ZLFHJNVVCPIHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-12-2-1-3-13(16)11(12)8-21-14-5-4-10(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2.
What are the key properties of [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine?
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine has a molecular weight of 327.17 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine is sourced from PubChem (CID 60889382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).