N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine

C15H20F3N — CID 79178623

IUPACN-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-4-19-14(8-11(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-9,14,19H,4,10H2,1-3H3
InChIKeyLTAUCIRZHHBVDU-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine

N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine (PubChem CID 79178623) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
PubChem CID79178623
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-4-19-14(8-11(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-9,14,19H,4,10H2,1-3H3
InChIKeyLTAUCIRZHHBVDU-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
CID 79189852
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;2-methylbuta-1,3-diene;hydrochloride
CID 87555857
1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 105004706
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 79190086
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine (CID 79178623) is N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine is CCNC(C=C(C)C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The InChIKey is LTAUCIRZHHBVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-4-19-14(8-11(2)3)10-12-6-5-7-13(9-12)15(16,17)18/h5-9,14,19H,4,10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine?
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine has a molecular weight of 271.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine is sourced from PubChem (CID 79178623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).