N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine

C25H25NO2 — CID 14751371

IUPACN,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C2Oc3ccccc3C=C2c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26(2)16-17-27-22-14-12-20(13-15-22)25-23(19-8-4-3-5-9-19)18-21-10-6-7-11-24(21)28-25/h3-15,18,25H,16-17H2,1-2H3
InChIKeyJNVGDTKYNMRMLQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.30
Rot. Bonds6

About N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine

N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine (PubChem CID 14751371) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine
PubChem CID14751371
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C2Oc3ccccc3C=C2c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26(2)16-17-27-22-14-12-20(13-15-22)25-23(19-8-4-3-5-9-19)18-21-10-6-7-11-24(21)28-25/h3-15,18,25H,16-17H2,1-2H3
InChIKeyJNVGDTKYNMRMLQ-UHFFFAOYSA-N
XLogP5.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine (CID 14751371) is N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine is CN(C)CCOc1ccc(C2Oc3ccccc3C=C2c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine?
The InChIKey is JNVGDTKYNMRMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26(2)16-17-27-22-14-12-20(13-15-22)25-23(19-8-4-3-5-9-19)18-21-10-6-7-11-24(21)28-25/h3-15,18,25H,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine has a molecular weight of 371.48 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 14751371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).