1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol

C12H18INO — CID 65478827

IUPAC1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc(I)cc1
InChIInChI=1S/C12H18INO/c1-3-12(2,15)9-14-8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVRFONNXAAWUATL-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.54
Rot. Bonds5

About 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol

1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol (PubChem CID 65478827) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
PubChem CID65478827
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc(I)cc1
InChIInChI=1S/C12H18INO/c1-3-12(2,15)9-14-8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVRFONNXAAWUATL-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.54
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

1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
CID 65108006
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679069
1-(1,3-benzodioxol-5-ylmethylamino)-2-methylbutan-2-ol
CID 65107806
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol (CID 65478827) is 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is VRFONNXAAWUATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-3-12(2,15)9-14-8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol?
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 319.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65478827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).