N-[2-(iodomethoxy)phenoxy]propan-1-amine

C10H14INO2 — CID 163880018

IUPACN-[2-(iodomethoxy)phenoxy]propan-1-amine
SMILESCCCNOc1ccccc1OCI
InChIInChI=1S/C10H14INO2/c1-2-7-12-14-10-6-4-3-5-9(10)13-8-11/h3-6,12H,2,7-8H2,1H3
InChIKeyAHSUKAASMAAFBD-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(iodomethoxy)phenoxy]propan-1-amine

N-[2-(iodomethoxy)phenoxy]propan-1-amine (PubChem CID 163880018) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is N-[2-(iodomethoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-[2-(iodomethoxy)phenoxy]propan-1-amine
PubChem CID163880018
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC NameN-[2-(iodomethoxy)phenoxy]propan-1-amine
SMILESCCCNOc1ccccc1OCI
InChIInChI=1S/C10H14INO2/c1-2-7-12-14-10-6-4-3-5-9(10)13-8-11/h3-6,12H,2,7-8H2,1H3
InChIKeyAHSUKAASMAAFBD-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylphenoxy)propan-1-amine
CID 19102994
3-(propylaminooxy)thiophen-2-ol
CID 173375192
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603

Frequently Asked Questions

What is the IUPAC name of N-[2-(iodomethoxy)phenoxy]propan-1-amine?
The IUPAC name of N-[2-(iodomethoxy)phenoxy]propan-1-amine (CID 163880018) is N-[2-(iodomethoxy)phenoxy]propan-1-amine.
What is the SMILES notation for N-[2-(iodomethoxy)phenoxy]propan-1-amine?
The canonical SMILES for N-[2-(iodomethoxy)phenoxy]propan-1-amine is CCCNOc1ccccc1OCI.
What is the InChIKey of N-[2-(iodomethoxy)phenoxy]propan-1-amine?
The InChIKey is AHSUKAASMAAFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-2-7-12-14-10-6-4-3-5-9(10)13-8-11/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[2-(iodomethoxy)phenoxy]propan-1-amine?
N-[2-(iodomethoxy)phenoxy]propan-1-amine has a molecular weight of 307.13 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(iodomethoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 163880018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).