N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine

C15H20F3N — CID 79590324

IUPACN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCC(C)NCCC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-12(2)19-11-5-3-4-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10,12,19H,5-6,11H2,1-2H3
InChIKeyFYLJTUPZSCQPKM-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.19
Rot. Bonds6

About N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine

N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (PubChem CID 79590324) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
PubChem CID79590324
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCC(C)NCCC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-12(2)19-11-5-3-4-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10,12,19H,5-6,11H2,1-2H3
InChIKeyFYLJTUPZSCQPKM-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79592722
4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79598098
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79590331
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
CID 157091649
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
(Z)-4-[4-(trifluoromethyl)phenyl]but-2-ene-1-sulfonyl chloride
CID 117267958
4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79592990
(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 104868043
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (CID 79590324) is N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.
What is the SMILES notation for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The canonical SMILES for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is CC(C)NCCC=CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The InChIKey is FYLJTUPZSCQPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-12(2)19-11-5-3-4-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10,12,19H,5-6,11H2,1-2H3.
What are the key properties of N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is sourced from PubChem (CID 79590324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).