N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine

C14H15BrFNO — CID 43432912

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-10(7-12-3-2-6-18-12)17-9-11-4-5-14(16)13(15)8-11/h2-6,8,10,17H,7,9H2,1H3
InChIKeyIBWZGXYLIITRQM-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.90
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 43432912) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID43432912
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-10(7-12-3-2-6-18-12)17-9-11-4-5-14(16)13(15)8-11/h2-6,8,10,17H,7,9H2,1H3
InChIKeyIBWZGXYLIITRQM-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine (CID 43432912) is N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is IBWZGXYLIITRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-10(7-12-3-2-6-18-12)17-9-11-4-5-14(16)13(15)8-11/h2-6,8,10,17H,7,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 312.18 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 43432912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).