3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol

C17H19NO2 — CID 82020697

IUPAC3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2ccc(-c3ccccc3)cc2C(O)C1N
InChIInChI=1S/C17H19NO2/c1-17(2)16(18)15(19)13-10-12(8-9-14(13)20-17)11-6-4-3-5-7-11/h3-10,15-16,19H,18H2,1-2H3
InChIKeyRZELDMPVYLGNCC-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds1

About 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol

3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol (PubChem CID 82020697) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol
PubChem CID82020697
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2ccc(-c3ccccc3)cc2C(O)C1N
InChIInChI=1S/C17H19NO2/c1-17(2)16(18)15(19)13-10-12(8-9-14(13)20-17)11-6-4-3-5-7-11/h3-10,15-16,19H,18H2,1-2H3
InChIKeyRZELDMPVYLGNCC-UHFFFAOYSA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol (CID 82020697) is 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol is CC1(C)Oc2ccc(-c3ccccc3)cc2C(O)C1N.
What is the InChIKey of 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol?
The InChIKey is RZELDMPVYLGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2)16(18)15(19)13-10-12(8-9-14(13)20-17)11-6-4-3-5-7-11/h3-10,15-16,19H,18H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol?
3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol has a molecular weight of 269.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82020697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).