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

C13H16F3N — CID 105004659

IUPAC4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
SMILESCC(C)=CC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N/c1-9(2)7-12(17)8-10-3-5-11(6-4-10)13(14,15)16/h3-7,12H,8,17H2,1-2H3
InChIKeyVCFZNKUORXUVGZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.54
Rot. Bonds3

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

4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine (PubChem CID 105004659) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
PubChem CID105004659
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
SMILESCC(C)=CC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N/c1-9(2)7-12(17)8-10-3-5-11(6-4-10)13(14,15)16/h3-7,12H,8,17H2,1-2H3
InChIKeyVCFZNKUORXUVGZ-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.54
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

(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 66767433
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
methyl 2-amino-5-methyl-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 174512917
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
CID 75480705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine (CID 105004659) is 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine is CC(C)=CC(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine?
The InChIKey is VCFZNKUORXUVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9(2)7-12(17)8-10-3-5-11(6-4-10)13(14,15)16/h3-7,12H,8,17H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine?
4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine has a molecular weight of 243.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine is sourced from PubChem (CID 105004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).