4-iodo-2-nitro-N-(1-phenylpropyl)aniline

C15H15IN2O2 — CID 66066089

IUPAC4-iodo-2-nitro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15IN2O2/c1-2-13(11-6-4-3-5-7-11)17-14-9-8-12(16)10-15(14)18(19)20/h3-10,13,17H,2H2,1H3
InChIKeyIMJJSYQBJMTOJA-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.76
Rot. Bonds5

About 4-iodo-2-nitro-N-(1-phenylpropyl)aniline

4-iodo-2-nitro-N-(1-phenylpropyl)aniline (PubChem CID 66066089) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-iodo-2-nitro-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-iodo-2-nitro-N-(1-phenylpropyl)aniline
PubChem CID66066089
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name4-iodo-2-nitro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15IN2O2/c1-2-13(11-6-4-3-5-7-11)17-14-9-8-12(16)10-15(14)18(19)20/h3-10,13,17H,2H2,1H3
InChIKeyIMJJSYQBJMTOJA-UHFFFAOYSA-N
XLogP4.76
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-nitro-4-(1-phenylpropylamino)phenol
CID 43750945
4-iodo-N-(3-methylpentan-2-yl)-2-nitroaniline
CID 66065681
4-bromo-5-fluoro-2-nitro-N-(1-phenylpropyl)aniline
CID 66111065
4-iodo-2-methyl-N-[1-(3-nitrophenyl)propyl]aniline
CID 43717054
4-iodo-2-nitro-N-(4-phenylbutan-2-yl)aniline
CID 66065690
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
N-[1-(4-bromophenyl)propyl]-4-chloro-2-nitroaniline
CID 43218013
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-[1-(4-chloro-2-nitroanilino)propyl]phenol
CID 43686336
4-[1-(3-bromophenyl)propylamino]-3-nitrophenol
CID 43792213
4-chloro-3-nitro-N-(1-phenylpropyl)aniline
CID 43719522

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-nitro-N-(1-phenylpropyl)aniline?
The IUPAC name of 4-iodo-2-nitro-N-(1-phenylpropyl)aniline (CID 66066089) is 4-iodo-2-nitro-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 4-iodo-2-nitro-N-(1-phenylpropyl)aniline?
The canonical SMILES for 4-iodo-2-nitro-N-(1-phenylpropyl)aniline is CCC(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 4-iodo-2-nitro-N-(1-phenylpropyl)aniline?
The InChIKey is IMJJSYQBJMTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-2-13(11-6-4-3-5-7-11)17-14-9-8-12(16)10-15(14)18(19)20/h3-10,13,17H,2H2,1H3.
What are the key properties of 4-iodo-2-nitro-N-(1-phenylpropyl)aniline?
4-iodo-2-nitro-N-(1-phenylpropyl)aniline has a molecular weight of 382.20 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-nitro-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 66066089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).