1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine

C16H18INO — CID 105411164

IUPAC1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
SMILESCc1ccc(CC(C)N)cc1Oc1ccccc1I
InChIInChI=1S/C16H18INO/c1-11-7-8-13(9-12(2)18)10-16(11)19-15-6-4-3-5-14(15)17/h3-8,10,12H,9,18H2,1-2H3
InChIKeyJIEOYOKAYHIUGZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.28
Rot. Bonds4

About 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine

1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine (PubChem CID 105411164) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
PubChem CID105411164
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
SMILESCc1ccc(CC(C)N)cc1Oc1ccccc1I
InChIInChI=1S/C16H18INO/c1-11-7-8-13(9-12(2)18)10-16(11)19-15-6-4-3-5-14(15)17/h3-8,10,12H,9,18H2,1-2H3
InChIKeyJIEOYOKAYHIUGZ-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
CID 105411150
1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
CID 63819707
1-[4-(2-iodophenoxy)phenyl]butan-2-amine
CID 63802314
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine (CID 105411164) is 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine is Cc1ccc(CC(C)N)cc1Oc1ccccc1I.
What is the InChIKey of 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine?
The InChIKey is JIEOYOKAYHIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-11-7-8-13(9-12(2)18)10-16(11)19-15-6-4-3-5-14(15)17/h3-8,10,12H,9,18H2,1-2H3.
What are the key properties of 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine?
1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine has a molecular weight of 367.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine is sourced from PubChem (CID 105411164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).