8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

C12H16INO2 — CID 114287285

IUPAC8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2c(I)cccc21
InChIInChI=1S/C12H16INO2/c1-12(2)7-10(14-15-3)8-5-4-6-9(13)11(8)16-12/h4-6,10,14H,7H2,1-3H3
InChIKeyITYSHIXZTYSHEU-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.04
Rot. Bonds2

About 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 114287285) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID114287285
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2c(I)cccc21
InChIInChI=1S/C12H16INO2/c1-12(2)7-10(14-15-3)8-5-4-6-9(13)11(8)16-12/h4-6,10,14H,7H2,1-3H3
InChIKeyITYSHIXZTYSHEU-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 114287283
6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
CID 81482096
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine
CID 81480136
7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 82462055
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687

Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 114287285) is 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is CONC1CC(C)(C)Oc2c(I)cccc21.
What is the InChIKey of 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is ITYSHIXZTYSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-12(2)7-10(14-15-3)8-5-4-6-9(13)11(8)16-12/h4-6,10,14H,7H2,1-3H3.
What are the key properties of 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 333.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114287285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).