N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine

C14H17F4N — CID 115350662

IUPACN-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESFc1cc(CCCCNC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-8-10(7-11(9-12)14(16,17)18)3-1-2-6-19-13-4-5-13/h7-9,13,19H,1-6H2
InChIKeyRNXSIQSIZXFOBQ-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine

N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine (PubChem CID 115350662) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
PubChem CID115350662
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESFc1cc(CCCCNC2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-8-10(7-11(9-12)14(16,17)18)3-1-2-6-19-13-4-5-13/h7-9,13,19H,1-6H2
InChIKeyRNXSIQSIZXFOBQ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
4-[3-[3-(trifluoromethyl)phenyl]propylamino]cyclohexane-1-carboxylic acid
CID 122030753
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
CID 162577330
N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
CID 83107512
N-[6-(2,5-difluorophenyl)hexyl]cyclopropanamine
CID 65308387
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
tert-butyl 4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylate
CID 58808114
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
CID 53434405

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine (CID 115350662) is N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine is Fc1cc(CCCCNC2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The InChIKey is RNXSIQSIZXFOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-12-8-10(7-11(9-12)14(16,17)18)3-1-2-6-19-13-4-5-13/h7-9,13,19H,1-6H2.
What are the key properties of N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine has a molecular weight of 275.29 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 115350662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).