3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine

C14H18F3N — CID 103913358

IUPAC3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3N/c1-11(2)8-9-18-13(10-14(15,16)17)12-6-4-3-5-7-12/h3-8,13,18H,9-10H2,1-2H3
InChIKeyQISUSFGPINUZOD-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.24
Rot. Bonds5

About 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine

3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine (PubChem CID 103913358) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
PubChem CID103913358
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3N/c1-11(2)8-9-18-13(10-14(15,16)17)12-6-4-3-5-7-12/h3-8,13,18H,9-10H2,1-2H3
InChIKeyQISUSFGPINUZOD-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.24
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-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
CID 106179833
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
CID 115454270
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
3-methyl-N-[1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethyl]but-2-en-1-amine
CID 3073301
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine (CID 103913358) is 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine is CC(C)=CCNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine?
The InChIKey is QISUSFGPINUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-11(2)8-9-18-13(10-14(15,16)17)12-6-4-3-5-7-12/h3-8,13,18H,9-10H2,1-2H3.
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine?
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine is sourced from PubChem (CID 103913358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).