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

C18H20IN — CID 65477303

IUPAC2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H20IN/c1-20-17(13-14-7-9-16(19)10-8-14)18(11-12-18)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3
InChIKeyONDORCITJAUTQU-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.15
Rot. Bonds5

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

2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine (PubChem CID 65477303) has the molecular formula C18H20IN and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
PubChem CID65477303
Molecular FormulaC18H20IN
Molecular Weight377.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H20IN/c1-20-17(13-14-7-9-16(19)10-8-14)18(11-12-18)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3
InChIKeyONDORCITJAUTQU-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine 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

2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
[2-(4-bromophenyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217191
2-(furan-3-yl)-N-methyl-1-(4-phenyloxan-4-yl)ethanamine
CID 83178198
[2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217129
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924
N,3-dimethyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 55187965
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63078622
2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine (CID 65477303) is 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine is CNC(Cc1ccc(I)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
The InChIKey is ONDORCITJAUTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN/c1-20-17(13-14-7-9-16(19)10-8-14)18(11-12-18)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine?
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine has a molecular weight of 377.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 65477303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).