N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C14H15BrFNO — CID 43222054

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Br)ccc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3
InChIKeyHFNBTGYYOKQZBM-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.34
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43222054) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43222054
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Br)ccc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3
InChIKeyHFNBTGYYOKQZBM-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43222054) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCc2cc(Br)ccc2F)o1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is HFNBTGYYOKQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).