2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone

C14H18INO — CID 43796685

IUPAC2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-10(11-3-4-11)16(2)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyYAEFNWKOQODKLR-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone

2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone (PubChem CID 43796685) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone
PubChem CID43796685
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-10(11-3-4-11)16(2)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyYAEFNWKOQODKLR-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone (CID 43796685) is 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone is CC(C1CC1)N(C)CC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The InChIKey is YAEFNWKOQODKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-10(11-3-4-11)16(2)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone has a molecular weight of 343.21 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 43796685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).