N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine

C17H20INO — CID 63550729

IUPACN-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2I)cc1C
InChIInChI=1S/C17H20INO/c1-3-10-19-12-14-8-9-15(11-13(14)2)20-17-7-5-4-6-16(17)18/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyYNSOWYXXAJMSBI-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.89
Rot. Bonds6

About N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine

N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine (PubChem CID 63550729) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine
PubChem CID63550729
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC NameN-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2I)cc1C
InChIInChI=1S/C17H20INO/c1-3-10-19-12-14-8-9-15(11-13(14)2)20-17-7-5-4-6-16(17)18/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyYNSOWYXXAJMSBI-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 114856352
N-[[2-(4-bromo-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 107725294
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843
N-[[4-(3-bromo-4-fluorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 83232859
N-[[3,5-difluoro-4-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 63550731
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 83136673
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine (CID 63550729) is N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccccc2I)cc1C.
What is the InChIKey of N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine?
The InChIKey is YNSOWYXXAJMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-3-10-19-12-14-8-9-15(11-13(14)2)20-17-7-5-4-6-16(17)18/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine?
N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine has a molecular weight of 381.26 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-iodophenoxy)-2-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).