2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine

C13H18IN — CID 115863462

IUPAC2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccccc1I
InChIInChI=1S/C13H18IN/c1-15-13(9-10-5-4-6-10)11-7-2-3-8-12(11)14/h2-3,7-8,10,13,15H,4-6,9H2,1H3
InChIKeyZJDCSWOYKRPQNK-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.74
Rot. Bonds4

About 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine

2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine (PubChem CID 115863462) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
PubChem CID115863462
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1ccccc1I
InChIInChI=1S/C13H18IN/c1-15-13(9-10-5-4-6-10)11-7-2-3-8-12(11)14/h2-3,7-8,10,13,15H,4-6,9H2,1H3
InChIKeyZJDCSWOYKRPQNK-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-cyclopentyl-1-(2-iodophenyl)ethyl]hydrazine
CID 105299058
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
[2-cyclobutyl-1-(2-ethylphenyl)ethyl]hydrazine
CID 105310171
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
CID 103163381
2-cyclobutyl-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 103162796
cyclobutyl-(2-iodophenyl)methanol
CID 115837930

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine (CID 115863462) is 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine is CNC(CC1CCC1)c1ccccc1I.
What is the InChIKey of 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine?
The InChIKey is ZJDCSWOYKRPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c1-15-13(9-10-5-4-6-10)11-7-2-3-8-12(11)14/h2-3,7-8,10,13,15H,4-6,9H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine?
2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine has a molecular weight of 315.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115863462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).