2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine

C23H28F3N — CID 78047515

IUPAC2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine
SMILESCC(C)=CC(CC(C)c1ccc(C)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N/c1-16(2)13-22(14-18(4)20-9-5-17(3)6-10-20)27-15-19-7-11-21(12-8-19)23(24,25)26/h5-13,18,22,27H,14-15H2,1-4H3
InChIKeyQKUNTPYAVALKRC-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.63
Rot. Bonds7

About 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine

2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine (PubChem CID 78047515) has the molecular formula C23H28F3N and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine
PubChem CID78047515
Molecular FormulaC23H28F3N
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine
SMILESCC(C)=CC(CC(C)c1ccc(C)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N/c1-16(2)13-22(14-18(4)20-9-5-17(3)6-10-20)27-15-19-7-11-21(12-8-19)23(24,25)26/h5-13,18,22,27H,14-15H2,1-4H3
InChIKeyQKUNTPYAVALKRC-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.63
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

(6S)-2-methyl-6-(4-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine chloride
CID 71532598
(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine
CID 71277010
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
1-bromo-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009971
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
4,4,4-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 103776427
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
(1S,2R,3S)-2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol
CID 102071267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine (CID 78047515) is 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine is CC(C)=CC(CC(C)c1ccc(C)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine?
The InChIKey is QKUNTPYAVALKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N/c1-16(2)13-22(14-18(4)20-9-5-17(3)6-10-20)27-15-19-7-11-21(12-8-19)23(24,25)26/h5-13,18,22,27H,14-15H2,1-4H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine?
2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine has a molecular weight of 375.48 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]hept-2-en-4-amine is sourced from PubChem (CID 78047515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).