N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine

C14H15BrFNO — CID 65435627

IUPACN-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C14H15BrFNO/c1-9(2)17-8-11-4-6-14(18-11)10-3-5-12(15)13(16)7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyMZTIPGVHLSPZSK-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.35
Rot. Bonds4

About N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 65435627) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID65435627
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C14H15BrFNO/c1-9(2)17-8-11-4-6-14(18-11)10-3-5-12(15)13(16)7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyMZTIPGVHLSPZSK-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine (CID 65435627) is N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc(Br)c(F)c2)o1.
What is the InChIKey of N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is MZTIPGVHLSPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9(2)17-8-11-4-6-14(18-11)10-3-5-12(15)13(16)7-10/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 312.18 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65435627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).