1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

C12H10F3NO — CID 103302337

IUPAC1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccco1)c1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h2-6,12,16H,1H3
InChIKeyCOWVCSDRCVYZEX-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.01
Rot. Bonds3

About 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302337) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302337
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccco1)c1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h2-6,12,16H,1H3
InChIKeyCOWVCSDRCVYZEX-UHFFFAOYSA-N
XLogP3.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82783225
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
CID 103304265
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 54880479
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 106857596
1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 81474055
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
[(2,5-difluorophenyl)-(furan-2-yl)methyl]hydrazine
CID 105213547
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241
1-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792126

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (CID 103302337) is 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is CNC(c1ccco1)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is COWVCSDRCVYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-16-12(11-3-2-4-17-11)7-5-9(14)10(15)6-8(7)13/h2-6,12,16H,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 241.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).