N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine

C15H18F3NO — CID 79598631

IUPACN-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c1-11(4-3-9-19-13-7-8-13)12-5-2-6-14(10-12)20-15(16,17)18/h2,4-6,10,13,19H,3,7-9H2,1H3
InChIKeyHJGJQNMJXRZLKU-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine

N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine (PubChem CID 79598631) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
PubChem CID79598631
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c1-11(4-3-9-19-13-7-8-13)12-5-2-6-14(10-12)20-15(16,17)18/h2,4-6,10,13,19H,3,7-9H2,1H3
InChIKeyHJGJQNMJXRZLKU-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropent-2-en-2-yl)-3-(trifluoromethoxy)benzene
CID 79593116
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
CID 79592096
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
N-ethyl-4-(3-methoxyphenyl)pent-3-en-1-amine
CID 79599241
1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene
CID 67275117
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
N-[4-(2,5-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79599402
N-[4-(2,4-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79608046
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine (CID 79598631) is N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine?
The InChIKey is HJGJQNMJXRZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-11(4-3-9-19-13-7-8-13)12-5-2-6-14(10-12)20-15(16,17)18/h2,4-6,10,13,19H,3,7-9H2,1H3.
What are the key properties of N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine?
N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine has a molecular weight of 285.31 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).