N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine

C16H14F3N — CID 115503138

IUPACN-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-c2ccccc2CNC2CC2)cc1F
InChIInChI=1S/C16H14F3N/c17-14-8-16(19)15(18)7-13(14)12-4-2-1-3-10(12)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2
InChIKeyUYQWKFUCEZHOSG-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 115503138) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID115503138
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-c2ccccc2CNC2CC2)cc1F
InChIInChI=1S/C16H14F3N/c17-14-8-16(19)15(18)7-13(14)12-4-2-1-3-10(12)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2
InChIKeyUYQWKFUCEZHOSG-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
CID 63424961
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
N-[[2-(furan-3-yl)phenyl]methyl]cyclopropanamine
CID 63948734
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine (CID 115503138) is N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine is Fc1cc(F)c(-c2ccccc2CNC2CC2)cc1F.
What is the InChIKey of N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is UYQWKFUCEZHOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-14-8-16(19)15(18)7-13(14)12-4-2-1-3-10(12)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2.
What are the key properties of N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 277.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115503138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).