N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine

C11H14IN3O2 — CID 66065475

IUPACN-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H14IN3O2/c1-14-5-4-9(7-14)13-10-3-2-8(12)6-11(10)15(16)17/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeySAIIAIMXUKCWLN-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.32
Rot. Bonds3

About N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine

N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 66065475) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
PubChem CID66065475
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H14IN3O2/c1-14-5-4-9(7-14)13-10-3-2-8(12)6-11(10)15(16)17/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeySAIIAIMXUKCWLN-UHFFFAOYSA-N
XLogP2.32
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzonitrile
CID 47370951
1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
CID 60970857
N-(4,5-dimethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 55142177
N-cyclobutyl-4-iodo-2-nitroaniline
CID 63713876
methyl 4-(4-iodo-2-nitroanilino)piperidine-1-carboxylate
CID 133273494
N-(4-iodo-2-nitrophenyl)pyrrolidin-3-amine
CID 66081891
N-[4-(difluoromethyl)-2-nitrophenyl]-1-methylpiperidin-4-amine
CID 122157101
[3-(4-iodo-2-nitroanilino)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404565
N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
CID 60780977
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
3-(4-iodo-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630141

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine (CID 66065475) is N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])C1.
What is the InChIKey of N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is SAIIAIMXUKCWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-14-5-4-9(7-14)13-10-3-2-8(12)6-11(10)15(16)17/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine?
N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 347.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 66065475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).