N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine

C15H17NO — CID 150087363

IUPACN,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine
SMILESCN(C)C1=CC(C=Cc2ccccc2)OC=C1
InChIInChI=1S/C15H17NO/c1-16(2)14-10-11-17-15(12-14)9-8-13-6-4-3-5-7-13/h3-12,15H,1-2H3
InChIKeyDSMXBLHWZAXKDM-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds3

About N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine

N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine (PubChem CID 150087363) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine
PubChem CID150087363
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine
SMILESCN(C)C1=CC(C=Cc2ccccc2)OC=C1
InChIInChI=1S/C15H17NO/c1-16(2)14-10-11-17-15(12-14)9-8-13-6-4-3-5-7-13/h3-12,15H,1-2H3
InChIKeyDSMXBLHWZAXKDM-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine?
The IUPAC name of N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine (CID 150087363) is N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine?
The canonical SMILES for N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine is CN(C)C1=CC(C=Cc2ccccc2)OC=C1.
What is the InChIKey of N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine?
The InChIKey is DSMXBLHWZAXKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)14-10-11-17-15(12-14)9-8-13-6-4-3-5-7-13/h3-12,15H,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine?
N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-phenylethenyl)-2H-pyran-4-amine is sourced from PubChem (CID 150087363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).