N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine

C15H20FNO — CID 154168274

IUPACN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(NCCc2ccccc2F)C=CO1
InChIInChI=1S/C15H20FNO/c1-15(2)11-13(8-10-18-15)17-9-7-12-5-3-4-6-14(12)16/h3-6,8,10,13,17H,7,9,11H2,1-2H3
InChIKeyPXUIDBFYTDKXSQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine (PubChem CID 154168274) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine
PubChem CID154168274
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(NCCc2ccccc2F)C=CO1
InChIInChI=1S/C15H20FNO/c1-15(2)11-13(8-10-18-15)17-9-7-12-5-3-4-6-14(12)16/h3-6,8,10,13,17H,7,9,11H2,1-2H3
InChIKeyPXUIDBFYTDKXSQ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine (CID 154168274) is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine is CC1(C)CC(NCCc2ccccc2F)C=CO1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine?
The InChIKey is PXUIDBFYTDKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2)11-13(8-10-18-15)17-9-7-12-5-3-4-6-14(12)16/h3-6,8,10,13,17H,7,9,11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine?
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine has a molecular weight of 249.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3,4-dihydropyran-4-amine is sourced from PubChem (CID 154168274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).