methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate

C12H16INO2 — CID 65477944

IUPACmethyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-14(9-12(15)16-2)8-10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyYPGFLQFJILVRFI-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate

methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate (PubChem CID 65477944) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
PubChem CID65477944
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Namemethyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-14(9-12(15)16-2)8-10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyYPGFLQFJILVRFI-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-bromoacetyl)-[(4-iodophenyl)methyl]amino]acetate
CID 59417530
methyl 2-[4-(diethylaminomethyl)phenyl]acetate
CID 125041894
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
CID 102662972
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate (CID 65477944) is methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate is CCN(CC(=O)OC)Cc1ccc(I)cc1.
What is the InChIKey of methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate?
The InChIKey is YPGFLQFJILVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-3-14(9-12(15)16-2)8-10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate?
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate has a molecular weight of 333.17 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate is sourced from PubChem (CID 65477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).