1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

C15H15IN2O2 — CID 61078222

IUPAC1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1
InChIInChI=1S/C15H15IN2O2/c1-17-14(11-6-8-13(16)9-7-11)10-12-4-2-3-5-15(12)18(19)20/h2-9,14,17H,10H2,1H3
InChIKeyIPQQRTIWXWERLX-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 61078222) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID61078222
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1
InChIInChI=1S/C15H15IN2O2/c1-17-14(11-6-8-13(16)9-7-11)10-12-4-2-3-5-15(12)18(19)20/h2-9,14,17H,10H2,1H3
InChIKeyIPQQRTIWXWERLX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
CID 63199809
N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide
CID 125472852
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 61078222) is 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is IPQQRTIWXWERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-17-14(11-6-8-13(16)9-7-11)10-12-4-2-3-5-15(12)18(19)20/h2-9,14,17H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 382.20 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61078222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).