1-(2-tert-butylphenyl)-N-iodomethanamine

C11H16IN — CID 166969969

IUPAC1-(2-tert-butylphenyl)-N-iodomethanamine
SMILESCC(C)(C)c1ccccc1CNI
InChIInChI=1S/C11H16IN/c1-11(2,3)10-7-5-4-6-9(10)8-13-12/h4-7,13H,8H2,1-3H3
InChIKeyZESHVMZBVZFKPT-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.42
Rot. Bonds2

About 1-(2-tert-butylphenyl)-N-iodomethanamine

1-(2-tert-butylphenyl)-N-iodomethanamine (PubChem CID 166969969) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-iodomethanamine
PubChem CID166969969
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name1-(2-tert-butylphenyl)-N-iodomethanamine
SMILESCC(C)(C)c1ccccc1CNI
InChIInChI=1S/C11H16IN/c1-11(2,3)10-7-5-4-6-9(10)8-13-12/h4-7,13H,8H2,1-3H3
InChIKeyZESHVMZBVZFKPT-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
CID 175472927
CID 175472927
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
CID 117110998
1,3-ditert-butyl-2-[1-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326741
1-tert-butyl-2-iodobenzene
CID 637957
1-(4-tert-butylphenyl)-N-iodomethanamine
CID 139343163
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-iodomethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-iodomethanamine (CID 166969969) is 1-(2-tert-butylphenyl)-N-iodomethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-iodomethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-iodomethanamine is CC(C)(C)c1ccccc1CNI.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-iodomethanamine?
The InChIKey is ZESHVMZBVZFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-11(2,3)10-7-5-4-6-9(10)8-13-12/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-iodomethanamine?
1-(2-tert-butylphenyl)-N-iodomethanamine has a molecular weight of 289.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-iodomethanamine is sourced from PubChem (CID 166969969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).