1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine

C11H16INO — CID 65476413

IUPAC1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyBXTHYSMJYMSSBH-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.55
Rot. Bonds4

About 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine

1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine (PubChem CID 65476413) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
PubChem CID65476413
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyBXTHYSMJYMSSBH-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.55
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-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
CID 81217476
2-methyl-1-[(4-propan-2-ylphenyl)methoxy]propan-2-amine
CID 64537588
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid
CID 170235329
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine (CID 65476413) is 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine is CC(C)(N)COCc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine?
The InChIKey is BXTHYSMJYMSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine?
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine has a molecular weight of 305.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 65476413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).