(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol

C24H30F3NO — CID 143024467

IUPAC(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
SMILESCCC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1cc(C)ccc1C
InChIInChI=1S/C24H30F3NO/c1-5-22(4,21-13-17(2)11-12-18(21)3)16-23(29,24(25,26)27)15-20(28)14-19-9-7-6-8-10-19/h6-14,29H,5,15-16,28H2,1-4H3/b20-14-
InChIKeyMYALJTDSAMUUDJ-ZHZULCJRSA-N
MW405.50 g/mol
LogP6.04
Rot. Bonds7

About (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol

(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol (PubChem CID 143024467) has the molecular formula C24H30F3NO and a molecular weight of 405.50 g/mol. Its IUPAC name is (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
PubChem CID143024467
Molecular FormulaC24H30F3NO
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol
SMILESCCC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1cc(C)ccc1C
InChIInChI=1S/C24H30F3NO/c1-5-22(4,21-13-17(2)11-12-18(21)3)16-23(29,24(25,26)27)15-20(28)14-19-9-7-6-8-10-19/h6-14,29H,5,15-16,28H2,1-4H3/b20-14-
InChIKeyMYALJTDSAMUUDJ-ZHZULCJRSA-N
XLogP6.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814228
3-[(Z)-2-amino-6-(5-fluoro-2-methylphenyl)-4-hydroxy-6-methyl-4-(trifluoromethyl)oct-1-enyl]benzonitrile
CID 142814301
(E)-3-amino-7-(3-fluorophenyl)-5-hydroxy-7-methyl-2-phenyl-5-(trifluoromethyl)oct-2-enenitrile
CID 142814311
(E)-3-amino-5-hydroxy-7-methyl-2,7-diphenyl-5-(trifluoromethyl)oct-2-enenitrile
CID 142814319
(Z)-2-amino-6-(3-fluorophenyl)-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol;ethane
CID 143024349
(6Z,8Z,9Z)-6,10-diamino-8-(aminomethylidene)-2-(5-fluoro-2-methylphenyl)-2-methyl-10-phenyl-4-(trifluoromethyl)deca-6,9-dien-4-ol
CID 143024505
(Z)-6-amino-2-(3-fluorophenyl)-2-methyl-7-phenyl-4-(trifluoromethyl)oct-6-en-4-ol
CID 143024571
(Z)-2-amino-6-(4-fluoro-3-methylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 143024680
(Z)-2-amino-6-(3-fluorophenyl)-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 143024350
(6Z,8E)-2-(5-fluoro-2-methylphenyl)-2-methyl-6-(methylamino)-4-(trifluoromethyl)deca-6,8-dien-4-ol
CID 143024712
4-(2,5-dimethylphenyl)-5-methylhexa-1,4-dien-2-amine;(3Z,5Z)-4-ethylhepta-1,3,5-triene;1-(4-ethylphenyl)ethenol
CID 143140047
4-Amino-1,1-difluoro-2,3-dimethylpent-4-en-2-ol;1-methyl-4-(4-propylphenyl)benzene
CID 144791847

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol (CID 143024467) is (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol is CCC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1cc(C)ccc1C.
What is the InChIKey of (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol?
The InChIKey is MYALJTDSAMUUDJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H30F3NO/c1-5-22(4,21-13-17(2)11-12-18(21)3)16-23(29,24(25,26)27)15-20(28)14-19-9-7-6-8-10-19/h6-14,29H,5,15-16,28H2,1-4H3/b20-14-.
What are the key properties of (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol?
(Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol has a molecular weight of 405.50 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(2,5-dimethylphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)oct-1-en-4-ol is sourced from PubChem (CID 143024467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).