1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine

C11H15IN2O3 — CID 66079975

IUPAC1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15IN2O3/c1-13-10(7-17-2)5-8-3-4-9(12)6-11(8)14(15)16/h3-4,6,10,13H,5,7H2,1-2H3
InChIKeyPWJIFRBKLSJRQD-UHFFFAOYSA-N
MW350.16 g/mol
LogP1.98
Rot. Bonds6

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

1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 66079975) has the molecular formula C11H15IN2O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID66079975
Molecular FormulaC11H15IN2O3
Molecular Weight350.16 g/mol
Exact Mass350.01
IUPAC Name1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15IN2O3/c1-13-10(7-17-2)5-8-3-4-9(12)6-11(8)14(15)16/h3-4,6,10,13H,5,7H2,1-2H3
InChIKeyPWJIFRBKLSJRQD-UHFFFAOYSA-N
XLogP1.98
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 51.98
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'}

Analyze 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
CID 55161803
1-(2-iodo-4-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
CID 66093309
1-(2-bromo-4-nitrophenyl)-3-methoxy-N-methylpropan-2-amine
CID 55162581
1-(2-bromobutyl)-4-iodo-2-nitrobenzene
CID 66079983
N-ethyl-1-(4-fluoro-2-nitrophenyl)-3-methoxypropan-2-amine
CID 63197736
1-(2,4-dinitrophenyl)-N-methylpentan-2-amine
CID 63199546
N-(2,3-dimethoxypropyl)-4-iodo-2-nitroaniline
CID 113368842
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylbutan-2-amine
CID 83007872
N-methyl-1-(4-methylsulfonyl-2-nitrophenyl)pentan-2-amine
CID 63199545
N-[(2,4-dinitrophenyl)methyl]-1-methoxybutan-2-amine
CID 66222001
4-iodo-N-(3-methoxypropyl)-2-nitroaniline
CID 60767123
3-iodo-N-(1-methoxybutan-2-yl)-4-nitroaniline
CID 106493264

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine (CID 66079975) is 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)Cc1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is PWJIFRBKLSJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3/c1-13-10(7-17-2)5-8-3-4-9(12)6-11(8)14(15)16/h3-4,6,10,13H,5,7H2,1-2H3.
What are the key properties of 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine?
1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 350.16 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-nitrophenyl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 66079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).