N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine

C15H18F3N — CID 79339196

IUPACN-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC(C)C(=Cc1cc(F)c(F)c(F)c1)CNC1CC1
InChIInChI=1S/C15H18F3N/c1-9(2)11(8-19-12-3-4-12)5-10-6-13(16)15(18)14(17)7-10/h5-7,9,12,19H,3-4,8H2,1-2H3
InChIKeyUFPIUFGKGPKKCL-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.90
Rot. Bonds5

About N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine

N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79339196) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
PubChem CID79339196
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC(C)C(=Cc1cc(F)c(F)c(F)c1)CNC1CC1
InChIInChI=1S/C15H18F3N/c1-9(2)11(8-19-12-3-4-12)5-10-6-13(16)15(18)14(17)7-10/h5-7,9,12,19H,3-4,8H2,1-2H3
InChIKeyUFPIUFGKGPKKCL-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.90
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-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 83241300
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736
N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338918
methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79339106
N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
CID 79329589
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine
CID 79339289
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339819
N-[(2Z)-2-(isoquinolin-4-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 104505397

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine (CID 79339196) is N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine is CC(C)C(=Cc1cc(F)c(F)c(F)c1)CNC1CC1.
What is the InChIKey of N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is UFPIUFGKGPKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c1-9(2)11(8-19-12-3-4-12)5-10-6-13(16)15(18)14(17)7-10/h5-7,9,12,19H,3-4,8H2,1-2H3.
What are the key properties of N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine?
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 269.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79339196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).