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

C13H11BrF3NO — CID 63949016

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3NO/c1-18-12(8-4-5-19-7-8)10-3-2-9(14)6-11(10)13(15,16)17/h2-7,12,18H,1H3
InChIKeyPHHZRHNMDUPFHY-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.37
Rot. Bonds3

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

1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 63949016) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine
PubChem CID63949016
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3NO/c1-18-12(8-4-5-19-7-8)10-3-2-9(14)6-11(10)13(15,16)17/h2-7,12,18H,1H3
InChIKeyPHHZRHNMDUPFHY-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine (CID 63949016) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine is CNC(c1ccoc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is PHHZRHNMDUPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-18-12(8-4-5-19-7-8)10-3-2-9(14)6-11(10)13(15,16)17/h2-7,12,18H,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 334.14 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 63949016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).