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

C13H15FINO — CID 114030282

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1ccc(F)cc1I
InChIInChI=1S/C13H15FINO/c1-16-13(12-4-2-3-7-17-12)10-6-5-9(14)8-11(10)15/h4-6,8,13,16H,2-3,7H2,1H3
InChIKeySJPFXIUJNWSFNX-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.39
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine (PubChem CID 114030282) has the molecular formula C13H15FINO and a molecular weight of 347.17 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine
PubChem CID114030282
Molecular FormulaC13H15FINO
Molecular Weight347.17 g/mol
Exact Mass347.02
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1ccc(F)cc1I
InChIInChI=1S/C13H15FINO/c1-16-13(12-4-2-3-7-17-12)10-6-5-9(14)8-11(10)15/h4-6,8,13,16H,2-3,7H2,1H3
InChIKeySJPFXIUJNWSFNX-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine (CID 114030282) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine is CNC(C1=CCCCO1)c1ccc(F)cc1I.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine?
The InChIKey is SJPFXIUJNWSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FINO/c1-16-13(12-4-2-3-7-17-12)10-6-5-9(14)8-11(10)15/h4-6,8,13,16H,2-3,7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-fluoro-2-iodophenyl)-N-methylmethanamine has a molecular weight of 347.17 g/mol, XLogP of 3.39, 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-(4-fluoro-2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 114030282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).