N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine

C13H15F2NO — CID 55030837

IUPACN-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
SMILESFc1ccc(CNCC2CCC=CO2)cc1F
InChIInChI=1S/C13H15F2NO/c14-12-5-4-10(7-13(12)15)8-16-9-11-3-1-2-6-17-11/h2,4-7,11,16H,1,3,8-9H2
InChIKeyAVUCEGTYQBTLTO-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.75
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine

N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine (PubChem CID 55030837) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
PubChem CID55030837
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
SMILESFc1ccc(CNCC2CCC=CO2)cc1F
InChIInChI=1S/C13H15F2NO/c14-12-5-4-10(7-13(12)15)8-16-9-11-3-1-2-6-17-11/h2,4-7,11,16H,1,3,8-9H2
InChIKeyAVUCEGTYQBTLTO-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine (CID 55030837) is N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine is Fc1ccc(CNCC2CCC=CO2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The InChIKey is AVUCEGTYQBTLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-12-5-4-10(7-13(12)15)8-16-9-11-3-1-2-6-17-11/h2,4-7,11,16H,1,3,8-9H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine has a molecular weight of 239.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine is sourced from PubChem (CID 55030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).