N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine

C21H23NO2 — CID 144987004

IUPACN-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCN(c1ccc(C2=CCOCC2)cc1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C21H23NO2/c1-22(20-9-6-18-3-2-12-24-21(18)15-20)19-7-4-16(5-8-19)17-10-13-23-14-11-17/h4-10,15H,2-3,11-14H2,1H3
InChIKeyRQOXAGFXXVATGR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.58
Rot. Bonds3

About N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine

N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine (PubChem CID 144987004) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound NameN-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
PubChem CID144987004
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCN(c1ccc(C2=CCOCC2)cc1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C21H23NO2/c1-22(20-9-6-18-3-2-12-24-21(18)15-20)19-7-4-16(5-8-19)17-10-13-23-14-11-17/h4-10,15H,2-3,11-14H2,1H3
InChIKeyRQOXAGFXXVATGR-UHFFFAOYSA-N
XLogP4.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine 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 N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine (CID 144987004) is N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine is CN(c1ccc(C2=CCOCC2)cc1)c1ccc2c(c1)OCCC2.
What is the InChIKey of N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is RQOXAGFXXVATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(20-9-6-18-3-2-12-24-21(18)15-20)19-7-4-16(5-8-19)17-10-13-23-14-11-17/h4-10,15H,2-3,11-14H2,1H3.
What are the key properties of N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 321.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 144987004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).