1-(3-iodophenyl)-N-methyl-2-propoxyethanamine

C12H18INO — CID 105008577

IUPAC1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-3-7-15-9-12(14-2)10-5-4-6-11(13)8-10/h4-6,8,12,14H,3,7,9H2,1-2H3
InChIKeyPJFLBXKCJYHRAH-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.98
Rot. Bonds6

About 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine

1-(3-iodophenyl)-N-methyl-2-propoxyethanamine (PubChem CID 105008577) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
PubChem CID105008577
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cccc(I)c1
InChIInChI=1S/C12H18INO/c1-3-7-15-9-12(14-2)10-5-4-6-11(13)8-10/h4-6,8,12,14H,3,7,9H2,1-2H3
InChIKeyPJFLBXKCJYHRAH-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.98
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

1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
N-methyl-1-(5-methylfuran-3-yl)-2-propoxyethanamine
CID 105008302
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine (CID 105008577) is 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine?
The InChIKey is PJFLBXKCJYHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-3-7-15-9-12(14-2)10-5-4-6-11(13)8-10/h4-6,8,12,14H,3,7,9H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine?
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine has a molecular weight of 319.19 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 105008577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).