N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine

C14H18IN — CID 62078356

IUPACN-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1ccccc1I
InChIInChI=1S/C14H18IN/c1-2-16-14(11-7-3-4-8-11)12-9-5-6-10-13(12)15/h5-7,9-10,14,16H,2-4,8H2,1H3
InChIKeyOQFKRAVABVGNHU-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.05
Rot. Bonds4

About N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine

N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine (PubChem CID 62078356) has the molecular formula C14H18IN and a molecular weight of 327.21 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
PubChem CID62078356
Molecular FormulaC14H18IN
Molecular Weight327.21 g/mol
Exact Mass327.05
IUPAC NameN-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1ccccc1I
InChIInChI=1S/C14H18IN/c1-2-16-14(11-7-3-4-8-11)12-9-5-6-10-13(12)15/h5-7,9-10,14,16H,2-4,8H2,1H3
InChIKeyOQFKRAVABVGNHU-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[cyclopenten-1-yl-(2-iodophenyl)methyl]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

N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[cyclohepten-1-yl-(2-methylsulfanylphenyl)methyl]ethanamine
CID 103718540
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 106657373
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684
N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 62079984
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656144
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine (CID 62078356) is N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine is CCNC(C1=CCCC1)c1ccccc1I.
What is the InChIKey of N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine?
The InChIKey is OQFKRAVABVGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN/c1-2-16-14(11-7-3-4-8-11)12-9-5-6-10-13(12)15/h5-7,9-10,14,16H,2-4,8H2,1H3.
What are the key properties of N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine?
N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine has a molecular weight of 327.21 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 62078356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).