4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol

C12H18INO — CID 12761838

IUPAC4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol
SMILESCNCc1cc(C(C)(C)C)cc(I)c1O
InChIInChI=1S/C12H18INO/c1-12(2,3)9-5-8(7-14-4)11(15)10(13)6-9/h5-6,14-15H,7H2,1-4H3
InChIKeyYGLUUSOMXQFCMX-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.01
Rot. Bonds2

About 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol

4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol (PubChem CID 12761838) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol
PubChem CID12761838
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol
SMILESCNCc1cc(C(C)(C)C)cc(I)c1O
InChIInChI=1S/C12H18INO/c1-12(2,3)9-5-8(7-14-4)11(15)10(13)6-9/h5-6,14-15H,7H2,1-4H3
InChIKeyYGLUUSOMXQFCMX-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
MK-4815
CID 10354063
LY 231617
CID 3968
4,4'-(1-Methylethylidene)bis(2,6-bis((dimethylamino)methyl)phenol
CID 167520
GNF-Pf-5310
CID 241056
4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol
CID 223214
3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide
CID 854751
p-Cresol, alpha-(dimethylamino)-2,6-diisopropyl-
CID 21025
Phenol, 4-[(dimethylamino)methyl]-2,6-dimethyl-
CID 39355
2-[(Butylamino)methyl]phenol
CID 487839
Phenol, 4-((dimethylamino)methyl)-2,6-bis(1,1-dimethylethyl)-, hydrochloride (1:1)
CID 3013953

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol?
The IUPAC name of 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol (CID 12761838) is 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol?
The canonical SMILES for 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol is CNCc1cc(C(C)(C)C)cc(I)c1O.
What is the InChIKey of 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol?
The InChIKey is YGLUUSOMXQFCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-12(2,3)9-5-8(7-14-4)11(15)10(13)6-9/h5-6,14-15H,7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol?
4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol has a molecular weight of 319.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-iodo-6-(methylaminomethyl)phenol is sourced from PubChem (CID 12761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).