[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine

C14H12ClFN2O3 — CID 103046384

IUPAC[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O3/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2
InChIKeyMTBLUWJSRMZAMY-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.42
Rot. Bonds5

About [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine

[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine (PubChem CID 103046384) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
PubChem CID103046384
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O3/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2
InChIKeyMTBLUWJSRMZAMY-UHFFFAOYSA-N
XLogP3.42
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.42
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-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-[(2,5-dichlorophenyl)methoxy]-4-nitroaniline
CID 67474125
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
4-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-2-chloro-1-fluorobenzene
CID 103038468

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine?
The IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine (CID 103046384) is [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine.
What is the SMILES notation for [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine?
The canonical SMILES for [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine is NCc1cc([N+](=O)[O-])ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine?
The InChIKey is MTBLUWJSRMZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(18(19)20)6-9(14)7-17/h1-6H,7-8,17H2.
What are the key properties of [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine?
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine has a molecular weight of 310.71 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine is sourced from PubChem (CID 103046384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).