N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine

C16H13F4N — CID 61033402

IUPACN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-c2ccc(CNC3CC3)c(F)c2)c(F)c1
InChIInChI=1S/C16H13F4N/c17-11-6-14(19)16(15(20)7-11)9-1-2-10(13(18)5-9)8-21-12-3-4-12/h1-2,5-7,12,21H,3-4,8H2
InChIKeyCVAFKJIQGXFNQN-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.16
Rot. Bonds4

About N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61033402) has the molecular formula C16H13F4N and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID61033402
Molecular FormulaC16H13F4N
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC NameN-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-c2ccc(CNC3CC3)c(F)c2)c(F)c1
InChIInChI=1S/C16H13F4N/c17-11-6-14(19)16(15(20)7-11)9-1-2-10(13(18)5-9)8-21-12-3-4-12/h1-2,5-7,12,21H,3-4,8H2
InChIKeyCVAFKJIQGXFNQN-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 62964766
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
N-[[4-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63428334
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine (CID 61033402) is N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine is Fc1cc(F)c(-c2ccc(CNC3CC3)c(F)c2)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CVAFKJIQGXFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N/c17-11-6-14(19)16(15(20)7-11)9-1-2-10(13(18)5-9)8-21-12-3-4-12/h1-2,5-7,12,21H,3-4,8H2.
What are the key properties of N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 295.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61033402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).