3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol

C15H24INO — CID 79052754

IUPAC3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H24INO/c1-5-17(6-2)15(3,4)14(18)11-12-7-9-13(16)10-8-12/h7-10,14,18H,5-6,11H2,1-4H3
InChIKeyLUDMVFZXORAZDO-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.32
Rot. Bonds6

About 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol

3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol (PubChem CID 79052754) has the molecular formula C15H24INO and a molecular weight of 361.27 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
PubChem CID79052754
Molecular FormulaC15H24INO
Molecular Weight361.27 g/mol
Exact Mass361.09
IUPAC Name3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H24INO/c1-5-17(6-2)15(3,4)14(18)11-12-7-9-13(16)10-8-12/h7-10,14,18H,5-6,11H2,1-4H3
InChIKeyLUDMVFZXORAZDO-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.32
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

3-(diethylamino)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 79052755
3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 113446917
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79702695
1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064990
N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine
CID 105241983
1-(4-iodophenyl)pentan-2-ol
CID 65476847
(2R)-2-(diethylamino)-3-(4-iodophenyl)propanoic acid
CID 100552636
1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79053243
1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
CID 65478318

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol?
The IUPAC name of 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol (CID 79052754) is 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol is CCN(CC)C(C)(C)C(O)Cc1ccc(I)cc1.
What is the InChIKey of 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol?
The InChIKey is LUDMVFZXORAZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24INO/c1-5-17(6-2)15(3,4)14(18)11-12-7-9-13(16)10-8-12/h7-10,14,18H,5-6,11H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol?
3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol has a molecular weight of 361.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 79052754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).