N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine

C15H20FN — CID 79338744

IUPACN-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(=Cc1cccc(F)c1)CNC1CC1
InChIInChI=1S/C15H20FN/c1-11(2)13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,8-9,11,15,17H,6-7,10H2,1-2H3
InChIKeyJTJJVDXEMDLFEB-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.62
Rot. Bonds5

About N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine

N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 79338744) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID79338744
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(=Cc1cccc(F)c1)CNC1CC1
InChIInChI=1S/C15H20FN/c1-11(2)13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,8-9,11,15,17H,6-7,10H2,1-2H3
InChIKeyJTJJVDXEMDLFEB-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 83241300
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338918
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[(2Z)-2-(isoquinolin-4-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 104505397
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine (CID 79338744) is N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine is CC(C)C(=Cc1cccc(F)c1)CNC1CC1.
What is the InChIKey of N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is JTJJVDXEMDLFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-11(2)13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,8-9,11,15,17H,6-7,10H2,1-2H3.
What are the key properties of N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 233.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79338744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).