1-[4-(2-iodophenoxy)phenyl]butan-2-amine

C16H18INO — CID 63802314

IUPAC1-[4-(2-iodophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C16H18INO/c1-2-13(18)11-12-7-9-14(10-8-12)19-16-6-4-3-5-15(16)17/h3-10,13H,2,11,18H2,1H3
InChIKeyKLZYUDUXWUXEIP-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.36
Rot. Bonds5

About 1-[4-(2-iodophenoxy)phenyl]butan-2-amine

1-[4-(2-iodophenoxy)phenyl]butan-2-amine (PubChem CID 63802314) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-[4-(2-iodophenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-iodophenoxy)phenyl]butan-2-amine
PubChem CID63802314
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name1-[4-(2-iodophenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C16H18INO/c1-2-13(18)11-12-7-9-14(10-8-12)19-16-6-4-3-5-15(16)17/h3-10,13H,2,11,18H2,1H3
InChIKeyKLZYUDUXWUXEIP-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.36
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-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-iodophenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-iodophenoxy)phenyl]butan-2-amine (CID 63802314) is 1-[4-(2-iodophenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-iodophenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-iodophenoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccccc2I)cc1.
What is the InChIKey of 1-[4-(2-iodophenoxy)phenyl]butan-2-amine?
The InChIKey is KLZYUDUXWUXEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-2-13(18)11-12-7-9-14(10-8-12)19-16-6-4-3-5-15(16)17/h3-10,13H,2,11,18H2,1H3.
What are the key properties of 1-[4-(2-iodophenoxy)phenyl]butan-2-amine?
1-[4-(2-iodophenoxy)phenyl]butan-2-amine has a molecular weight of 367.23 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-iodophenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 63802314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).