3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine

C15H20F3N — CID 79178039

IUPAC3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,14,19H,2,4,8-9H2,1,3H3
InChIKeyNXZKYYVZQJVFQJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.71
Rot. Bonds6

About 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine

3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine (PubChem CID 79178039) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
PubChem CID79178039
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,14,19H,2,4,8-9H2,1,3H3
InChIKeyNXZKYYVZQJVFQJ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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

3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296
N-(2-methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616278
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
N-[2-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64611916
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine (CID 79178039) is 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine is C=C(C)CC(NCCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
The InChIKey is NXZKYYVZQJVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,14,19H,2,4,8-9H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine?
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 79178039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).