1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine

C14H13BrF3NO — CID 64855703

IUPAC1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13BrF3NO/c1-8(19-2)12-5-6-13(20-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8,19H,1-2H3
InChIKeyRMWDKSORTRUEKH-UHFFFAOYSA-N
MW348.16 g/mol
LogP5.01
Rot. Bonds3

About 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine

1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine (PubChem CID 64855703) has the molecular formula C14H13BrF3NO and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
PubChem CID64855703
Molecular FormulaC14H13BrF3NO
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13BrF3NO/c1-8(19-2)12-5-6-13(20-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8,19H,1-2H3
InChIKeyRMWDKSORTRUEKH-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.16
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Furfurylamine, alpha-benzyl-N-methyl-
CID 18548
(5-Phenylfuran-2-yl)methyl-propan-2-ylazanium
CID 41494845
1-[5-(4-bromophenyl)furan-2-yl]-N-(piperidin-4-ylmethyl)methanamine
CID 15943350
N-{[5-(4-bromo-3-methylphenyl)-2-furyl]methyl}-N-(4-piperidinylmethyl)amine
CID 16069836
N-[(5-phenylfuran-2-yl)methyl]propan-2-amine
CID 17156312
[5-(4-bromophenyl)-2-furyl]-N-(2-furylmethyl)methanamine
CID 4723797
N-benzyl-1-(5-methylfuran-2-yl)but-3-en-1-amine
CID 2818345
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723509
2-({[5-(4-Bromophenyl)furan-2-yl]methyl}amino)butan-1-ol
CID 4723757
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4723774
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide
CID 9204093
[5-(4-Bromophenyl)furan-2-yl]methanamine
CID 16227286

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine (CID 64855703) is 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine?
The InChIKey is RMWDKSORTRUEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO/c1-8(19-2)12-5-6-13(20-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8,19H,1-2H3.
What are the key properties of 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine?
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine has a molecular weight of 348.16 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 64855703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).