2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine

C15H15ClN2O3 — CID 114321460

IUPAC2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c16-13-5-3-7-15(12(13)8-9-17)21-10-11-4-1-2-6-14(11)18(19)20/h1-7H,8-10,17H2
InChIKeySUHOFZGFSCQOIW-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine

2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 114321460) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID114321460
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c16-13-5-3-7-15(12(13)8-9-17)21-10-11-4-1-2-6-14(11)18(19)20/h1-7H,8-10,17H2
InChIKeySUHOFZGFSCQOIW-UHFFFAOYSA-N
XLogP3.33
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.33
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-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
CID 104835460
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine (CID 114321460) is 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine is NCCc1c(Cl)cccc1OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is SUHOFZGFSCQOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-5-3-7-15(12(13)8-9-17)21-10-11-4-1-2-6-14(11)18(19)20/h1-7H,8-10,17H2.
What are the key properties of 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine?
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 306.75 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 114321460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).