2-iodo-5-nitro-3-phenylmethoxyaniline

C13H11IN2O3 — CID 11537963

IUPAC2-iodo-5-nitro-3-phenylmethoxyaniline
SMILESNc1cc([N+](=O)[O-])cc(OCc2ccccc2)c1I
InChIInChI=1S/C13H11IN2O3/c14-13-11(15)6-10(16(17)18)7-12(13)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyUVLBBPZECUSJLO-UHFFFAOYSA-N
MW370.15 g/mol
LogP3.36
Rot. Bonds4

About 2-iodo-5-nitro-3-phenylmethoxyaniline

2-iodo-5-nitro-3-phenylmethoxyaniline (PubChem CID 11537963) has the molecular formula C13H11IN2O3 and a molecular weight of 370.15 g/mol. Its IUPAC name is 2-iodo-5-nitro-3-phenylmethoxyaniline.

Molecular Properties

Compound Name2-iodo-5-nitro-3-phenylmethoxyaniline
PubChem CID11537963
Molecular FormulaC13H11IN2O3
Molecular Weight370.15 g/mol
Exact Mass369.98
IUPAC Name2-iodo-5-nitro-3-phenylmethoxyaniline
SMILESNc1cc([N+](=O)[O-])cc(OCc2ccccc2)c1I
InChIInChI=1S/C13H11IN2O3/c14-13-11(15)6-10(16(17)18)7-12(13)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyUVLBBPZECUSJLO-UHFFFAOYSA-N
XLogP3.36
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Benzyloxyaniline
CID 92892
4-Benzyloxy-2-nitroaniline
CID 261497
Benzenamine, 3-(4-nitrophenoxy)-
CID 211166
p-(Benzyloxy)nitrobenzene
CID 70842
4-Nitrobenzyl phenyl ether
CID 99674
3-(3-Methylphenoxy)-5-nitroaniline
CID 867747
3-(4-Ethoxyphenoxy)-5-nitroaniline
CID 5123758
2-[4-(4-Nitrobenzyloxy)phenyl]ethylamine
CID 11579920
3-[(4-Iodophenyl)methoxy]aniline
CID 65498772
1-Nitro-4-[(4-nitrobenzyl)oxy]benzene
CID 586107
3-Nitro-5-(2,2,2-trifluoroethoxy)aniline
CID 831415
Benzyl 3-nitrophenyl ether
CID 141099

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-3-phenylmethoxyaniline?
The IUPAC name of 2-iodo-5-nitro-3-phenylmethoxyaniline (CID 11537963) is 2-iodo-5-nitro-3-phenylmethoxyaniline.
What is the SMILES notation for 2-iodo-5-nitro-3-phenylmethoxyaniline?
The canonical SMILES for 2-iodo-5-nitro-3-phenylmethoxyaniline is Nc1cc([N+](=O)[O-])cc(OCc2ccccc2)c1I.
What is the InChIKey of 2-iodo-5-nitro-3-phenylmethoxyaniline?
The InChIKey is UVLBBPZECUSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3/c14-13-11(15)6-10(16(17)18)7-12(13)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2.
What are the key properties of 2-iodo-5-nitro-3-phenylmethoxyaniline?
2-iodo-5-nitro-3-phenylmethoxyaniline has a molecular weight of 370.15 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-3-phenylmethoxyaniline is sourced from PubChem (CID 11537963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).