1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

C13H15BrFNO — CID 105033121

IUPAC1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO/c1-16-13(10-3-2-6-17-8-10)9-4-5-11(14)12(15)7-9/h4-5,7-8,13,16H,2-3,6H2,1H3
InChIKeyKQZNIVZYLSGCRO-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (PubChem CID 105033121) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
PubChem CID105033121
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO/c1-16-13(10-3-2-6-17-8-10)9-4-5-11(14)12(15)7-9/h4-5,7-8,13,16H,2-3,6H2,1H3
InChIKeyKQZNIVZYLSGCRO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548
[3,4-dihydro-2H-pyran-5-yl-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208035
N-[(4-bromo-3-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033088
[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105333247
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(4-chloro-2,5-difluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033221
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105179387
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859
1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 107985362

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (CID 105033121) is 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is CNC(C1=COCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The InChIKey is KQZNIVZYLSGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-16-13(10-3-2-6-17-8-10)9-4-5-11(14)12(15)7-9/h4-5,7-8,13,16H,2-3,6H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine has a molecular weight of 300.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105033121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).