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

C16H22F3N — CID 79598098

IUPAC4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCC(=CCCNC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-12(2)20-10-4-5-13(3)11-14-6-8-15(9-7-14)16(17,18)19/h5-9,12,20H,4,10-11H2,1-3H3
InChIKeyYTUJVNGVZGRKNU-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.58
Rot. Bonds6

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

4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (PubChem CID 79598098) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
PubChem CID79598098
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
SMILESCC(=CCCNC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-12(2)20-10-4-5-13(3)11-14-6-8-15(9-7-14)16(17,18)19/h5-9,12,20H,4,10-11H2,1-3H3
InChIKeyYTUJVNGVZGRKNU-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.58
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-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79590324
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558232

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine (CID 79598098) is 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is CC(=CCCNC(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
The InChIKey is YTUJVNGVZGRKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12(2)20-10-4-5-13(3)11-14-6-8-15(9-7-14)16(17,18)19/h5-9,12,20H,4,10-11H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine?
4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine is sourced from PubChem (CID 79598098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).