N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

C15H22INO2 — CID 55077251

IUPACN-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2cccc(I)c2)O1
InChIInChI=1S/C15H22INO2/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyCDYXVEXECFJATA-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.22
Rot. Bonds6

About N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 55077251) has the molecular formula C15H22INO2 and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID55077251
Molecular FormulaC15H22INO2
Molecular Weight375.25 g/mol
Exact Mass375.07
IUPAC NameN-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2cccc(I)c2)O1
InChIInChI=1S/C15H22INO2/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyCDYXVEXECFJATA-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine 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-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 65201205
N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 63878672
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene
CID 124747316
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135165
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 76943798
1-[5-[(4-bromo-3-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83134356
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62446409

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 55077251) is N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COc2cccc(I)c2)O1.
What is the InChIKey of N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is CDYXVEXECFJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO2/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 375.25 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).