1-[1-(4-iodophenyl)ethyl]-2-methylaziridine

C11H14IN — CID 155022245

IUPAC1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
SMILESCC1CN1C(C)c1ccc(I)cc1
InChIInChI=1S/C11H14IN/c1-8-7-13(8)9(2)10-3-5-11(12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyGPVMWKAGFKTDEM-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.06
Rot. Bonds2

About 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine

1-[1-(4-iodophenyl)ethyl]-2-methylaziridine (PubChem CID 155022245) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
PubChem CID155022245
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
SMILESCC1CN1C(C)c1ccc(I)cc1
InChIInChI=1S/C11H14IN/c1-8-7-13(8)9(2)10-3-5-11(12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyGPVMWKAGFKTDEM-UHFFFAOYSA-N
XLogP3.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
CID 59890825
1-[1-(4-iodophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083273
(3aR,6aS)-5-[1-(4-iodophenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114083159
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 114087069
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
1-[1-(4-iodophenyl)ethyl]azetidine
CID 130668463
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
1-[1-(4-iodophenyl)ethyl]piperidin-4-one
CID 131422782

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine?
The IUPAC name of 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine (CID 155022245) is 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine.
What is the SMILES notation for 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine?
The canonical SMILES for 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine is CC1CN1C(C)c1ccc(I)cc1.
What is the InChIKey of 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine?
The InChIKey is GPVMWKAGFKTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-8-7-13(8)9(2)10-3-5-11(12)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine?
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine has a molecular weight of 287.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)ethyl]-2-methylaziridine is sourced from PubChem (CID 155022245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).