1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine

C13H16FNO — CID 102647397

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-15-13(12-8-4-5-9-16-12)10-6-2-3-7-11(10)14/h2-3,6-8,13,15H,4-5,9H2,1H3
InChIKeyFPFNSLSFPKCCTD-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.78
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 102647397) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID102647397
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1ccccc1F
InChIInChI=1S/C13H16FNO/c1-15-13(12-8-4-5-9-16-12)10-6-2-3-7-11(10)14/h2-3,6-8,13,15H,4-5,9H2,1H3
InChIKeyFPFNSLSFPKCCTD-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine
CID 114030282
1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
1-[2-(difluoromethoxy)phenyl]-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102653477
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
1-(2,3-dihydrofuran-5-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 102652083
1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 102647455
2,3-dihydrofuran-5-yl-(2-fluorophenyl)methanol
CID 102650541
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 102647397) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine is CNC(C1=CCCCO1)c1ccccc1F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is FPFNSLSFPKCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-13(12-8-4-5-9-16-12)10-6-2-3-7-11(10)14/h2-3,6-8,13,15H,4-5,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 221.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 102647397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).