1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol

C10H16IN3O — CID 175328435

IUPAC1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NNN)c1I
InChIInChI=1S/C10H16IN3O/c1-2-4-9(15)7-5-3-6-8(10(7)11)13-14-12/h3,5-6,9,13-15H,2,4,12H2,1H3
InChIKeyMDHBVBQUWMVGHY-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.91
Rot. Bonds5

About 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol

1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol (PubChem CID 175328435) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol.

Molecular Properties

Compound Name1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol
PubChem CID175328435
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol
SMILESCCCC(O)c1cccc(NNN)c1I
InChIInChI=1S/C10H16IN3O/c1-2-4-9(15)7-5-3-6-8(10(7)11)13-14-12/h3,5-6,9,13-15H,2,4,12H2,1H3
InChIKeyMDHBVBQUWMVGHY-UHFFFAOYSA-N
XLogP1.91
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
CID 141441967
N-[2-(1-hydroxybutyl)phenyl]acetamide
CID 19836950
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
CID 89047034
CID 89047034
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
1-(2-benzylphenyl)butan-1-ol
CID 101274232
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
3-fluoro-2-iodo-N-pentan-2-ylaniline
CID 130498396
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
1-(2-chlorophenyl)butylhydrazine
CID 105202004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol?
The IUPAC name of 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol (CID 175328435) is 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol.
What is the SMILES notation for 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol?
The canonical SMILES for 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol is CCCC(O)c1cccc(NNN)c1I.
What is the InChIKey of 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol?
The InChIKey is MDHBVBQUWMVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-2-4-9(15)7-5-3-6-8(10(7)11)13-14-12/h3,5-6,9,13-15H,2,4,12H2,1H3.
What are the key properties of 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol?
1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol has a molecular weight of 321.16 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminohydrazinyl)-2-iodophenyl]butan-1-ol is sourced from PubChem (CID 175328435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).