1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol

C11H15IN2O3 — CID 79389473

IUPAC1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C11H15IN2O3/c1-11(2,15)7-13(3)10-5-4-8(14(16)17)6-9(10)12/h4-6,15H,7H2,1-3H3
InChIKeyMWDHROSWSOOGBZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol

1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol (PubChem CID 79389473) has the molecular formula C11H15IN2O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol
PubChem CID79389473
Molecular FormulaC11H15IN2O3
Molecular Weight350.16 g/mol
Exact Mass350.01
IUPAC Name1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C11H15IN2O3/c1-11(2,15)7-13(3)10-5-4-8(14(16)17)6-9(10)12/h4-6,15H,7H2,1-3H3
InChIKeyMWDHROSWSOOGBZ-UHFFFAOYSA-N
XLogP2.41
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-(2-iodo-N-methyl-4-nitroanilino)ethanol
CID 66093920
N'-(2-iodo-4-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
CID 66093674
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-5-nitrobenzonitrile
CID 78962154
methyl 3-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropanoate
CID 66092888
N'-ethyl-N'-(2-iodo-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine
CID 79661768
1-(dimethylamino)-3-(2-iodo-4-nitroanilino)-2-methylpropan-2-ol
CID 106145416
1-[(2,4-dinitrophenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389346
2-[methyl(2,2,2-trifluoroethyl)amino]-5-nitrobenzonitrile
CID 115500978
2-(chloromethyl)-N-methyl-4-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 60891005
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-nitrobenzoic acid
CID 115542561
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-5-nitrobenzamide
CID 79290778
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783706

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol (CID 79389473) is 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol?
The InChIKey is MWDHROSWSOOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3/c1-11(2,15)7-13(3)10-5-4-8(14(16)17)6-9(10)12/h4-6,15H,7H2,1-3H3.
What are the key properties of 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol?
1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol has a molecular weight of 350.16 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 79389473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).