2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol

C22H27NO2 — CID 73333626

IUPAC2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol
SMILESCC(NCCCc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2
InChIInChI=1S/C22H27NO2/c1-16(23-13-7-10-17-8-5-4-6-9-17)19-14-18-11-12-22(2,3)25-21(18)15-20(19)24/h4-6,8-9,11-12,14-16,23-24H,7,10,13H2,1-3H3
InChIKeyVWAJUOJAGBZODP-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.86
Rot. Bonds6

About 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol

2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol (PubChem CID 73333626) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol
PubChem CID73333626
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol
SMILESCC(NCCCc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2
InChIInChI=1S/C22H27NO2/c1-16(23-13-7-10-17-8-5-4-6-9-17)19-14-18-11-12-22(2,3)25-21(18)15-20(19)24/h4-6,8-9,11-12,14-16,23-24H,7,10,13H2,1-3H3
InChIKeyVWAJUOJAGBZODP-UHFFFAOYSA-N
XLogP4.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-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 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol?
The IUPAC name of 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol (CID 73333626) is 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol.
What is the SMILES notation for 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol?
The canonical SMILES for 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol is CC(NCCCc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2.
What is the InChIKey of 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol?
The InChIKey is VWAJUOJAGBZODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(23-13-7-10-17-8-5-4-6-9-17)19-14-18-11-12-22(2,3)25-21(18)15-20(19)24/h4-6,8-9,11-12,14-16,23-24H,7,10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol?
2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol has a molecular weight of 337.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[1-(3-phenylpropylamino)ethyl]chromen-7-ol is sourced from PubChem (CID 73333626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).