6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine

C17H27NO2 — CID 81482096

IUPAC6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C17H27NO2/c1-11-8-12(16(2,3)4)9-13-14(18-19-7)10-17(5,6)20-15(11)13/h8-9,14,18H,10H2,1-7H3
InChIKeyRGWHGMIDNLAFGY-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.05
Rot. Bonds2

About 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine

6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 81482096) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID81482096
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C17H27NO2/c1-11-8-12(16(2,3)4)9-13-14(18-19-7)10-17(5,6)20-15(11)13/h8-9,14,18H,10H2,1-7H3
InChIKeyRGWHGMIDNLAFGY-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897
8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696430
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
5-tert-butyl-2-ethyl-N-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482356
8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512651
2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
CID 82078660
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine
CID 81480136

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine (CID 81482096) is 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine is CONC1CC(C)(C)Oc2c(C)cc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is RGWHGMIDNLAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-8-12(16(2,3)4)9-13-14(18-19-7)10-17(5,6)20-15(11)13/h8-9,14,18H,10H2,1-7H3.
What are the key properties of 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine?
6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81482096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).