N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine

C16H14F3N — CID 61239688

IUPACN-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2cccc(CNC3CC3)c2)cc(F)c1F
InChIInChI=1S/C16H14F3N/c17-14-7-12(8-15(18)16(14)19)11-3-1-2-10(6-11)9-20-13-4-5-13/h1-3,6-8,13,20H,4-5,9H2
InChIKeyFPVOTEJZGDGLEP-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.02
Rot. Bonds4

About N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine

N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61239688) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID61239688
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2cccc(CNC3CC3)c2)cc(F)c1F
InChIInChI=1S/C16H14F3N/c17-14-7-12(8-15(18)16(14)19)11-3-1-2-10(6-11)9-20-13-4-5-13/h1-3,6-8,13,20H,4-5,9H2
InChIKeyFPVOTEJZGDGLEP-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_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
[3-(3,4,5-trifluorophenyl)phenyl]methanol
CID 172650671
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine (CID 61239688) is N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine is Fc1cc(-c2cccc(CNC3CC3)c2)cc(F)c1F.
What is the InChIKey of N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is FPVOTEJZGDGLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-14-7-12(8-15(18)16(14)19)11-3-1-2-10(6-11)9-20-13-4-5-13/h1-3,6-8,13,20H,4-5,9H2.
What are the key properties of N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(3,4,5-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-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61239688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).