N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine

C13H12F3NO — CID 63185696

IUPACN-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)c(F)c1)c1ccco1
InChIInChI=1S/C13H12F3NO/c1-2-17-13(11-4-3-5-18-11)8-6-9(14)12(16)10(15)7-8/h3-7,13,17H,2H2,1H3
InChIKeyNYYYPJYWNFLBBA-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.40
Rot. Bonds4

About N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine

N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 63185696) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID63185696
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)c(F)c1)c1ccco1
InChIInChI=1S/C13H12F3NO/c1-2-17-13(11-4-3-5-18-11)8-6-9(14)12(16)10(15)7-8/h3-7,13,17H,2H2,1H3
InChIKeyNYYYPJYWNFLBBA-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(2-bromo-3,4-difluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 107539325
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine (CID 63185696) is N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(F)c(F)c(F)c1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is NYYYPJYWNFLBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-2-17-13(11-4-3-5-18-11)8-6-9(14)12(16)10(15)7-8/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine?
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63185696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).