N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine

C17H15BrF3NO — CID 123294871

IUPACN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine
SMILESFC(F)(F)Oc1ccc(CNC2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H15BrF3NO/c18-14-10-12(6-7-15(14)23-17(19,20)21)11-22-16(8-9-16)13-4-2-1-3-5-13/h1-7,10,22H,8-9,11H2
InChIKeyDWOGRQQQFYTUAU-UHFFFAOYSA-N
MW386.21 g/mol
LogP5.13
Rot. Bonds5

About N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine (PubChem CID 123294871) has the molecular formula C17H15BrF3NO and a molecular weight of 386.21 g/mol. Its IUPAC name is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine
PubChem CID123294871
Molecular FormulaC17H15BrF3NO
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine
SMILESFC(F)(F)Oc1ccc(CNC2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C17H15BrF3NO/c18-14-10-12(6-7-15(14)23-17(19,20)21)11-22-16(8-9-16)13-4-2-1-3-5-13/h1-7,10,22H,8-9,11H2
InChIKeyDWOGRQQQFYTUAU-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.21
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 107342223
N-[(4-bromothiophen-2-yl)methyl]-1-[3-bromo-4-(trifluoromethoxy)phenyl]methanamine
CID 107342370
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 107342181
methyl 2-methyl-4-[[(1-phenylcyclopropyl)amino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 154844777
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]but-3-yn-1-amine
CID 107342366
4-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 107342549
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 107342348

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine?
The IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine (CID 123294871) is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine is FC(F)(F)Oc1ccc(CNC2(c3ccccc3)CC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine?
The InChIKey is DWOGRQQQFYTUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO/c18-14-10-12(6-7-15(14)23-17(19,20)21)11-22-16(8-9-16)13-4-2-1-3-5-13/h1-7,10,22H,8-9,11H2.
What are the key properties of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine?
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine has a molecular weight of 386.21 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-phenylcyclopropan-1-amine is sourced from PubChem (CID 123294871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).