2-(2-aminobutyl)-4,6-diiodophenol

C10H13I2NO — CID 131060638

IUPAC2-(2-aminobutyl)-4,6-diiodophenol
SMILESCCC(N)Cc1cc(I)cc(I)c1O
InChIInChI=1S/C10H13I2NO/c1-2-8(13)4-6-3-7(11)5-9(12)10(6)14/h3,5,8,14H,2,4,13H2,1H3
InChIKeyUTLSMROUTLPSSP-UHFFFAOYSA-N
MW417.03 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-aminobutyl)-4,6-diiodophenol

2-(2-aminobutyl)-4,6-diiodophenol (PubChem CID 131060638) has the molecular formula C10H13I2NO and a molecular weight of 417.03 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4,6-diiodophenol.

Molecular Properties

Compound Name2-(2-aminobutyl)-4,6-diiodophenol
PubChem CID131060638
Molecular FormulaC10H13I2NO
Molecular Weight417.03 g/mol
Exact Mass416.91
IUPAC Name2-(2-aminobutyl)-4,6-diiodophenol
SMILESCCC(N)Cc1cc(I)cc(I)c1O
InChIInChI=1S/C10H13I2NO/c1-2-8(13)4-6-3-7(11)5-9(12)10(6)14/h3,5,8,14H,2,4,13H2,1H3
InChIKeyUTLSMROUTLPSSP-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
2,6-bis(2-aminobutyl)-4-chlorophenol
CID 170888954
2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
CID 170889153
2-(ethylaminomethyl)-4,6-diiodophenol
CID 130693520
copper 2,4,6-triiodophenol
CID 54602337
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
2-[(1S)-1-aminobutyl]-4,6-diiodophenol
CID 131101034
2-[(1S)-1-aminoethyl]-4,6-diiodophenol
CID 130709990
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
(E)-2,3-bis[(2-hydroxy-3,5-diiodophenyl)methyl]but-2-enedioic acid
CID 67824936
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4,6-diiodophenol?
The IUPAC name of 2-(2-aminobutyl)-4,6-diiodophenol (CID 131060638) is 2-(2-aminobutyl)-4,6-diiodophenol.
What is the SMILES notation for 2-(2-aminobutyl)-4,6-diiodophenol?
The canonical SMILES for 2-(2-aminobutyl)-4,6-diiodophenol is CCC(N)Cc1cc(I)cc(I)c1O.
What is the InChIKey of 2-(2-aminobutyl)-4,6-diiodophenol?
The InChIKey is UTLSMROUTLPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I2NO/c1-2-8(13)4-6-3-7(11)5-9(12)10(6)14/h3,5,8,14H,2,4,13H2,1H3.
What are the key properties of 2-(2-aminobutyl)-4,6-diiodophenol?
2-(2-aminobutyl)-4,6-diiodophenol has a molecular weight of 417.03 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4,6-diiodophenol is sourced from PubChem (CID 131060638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).