2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol

C23H29F4N3O2 — CID 142983635

IUPAC2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccccc1/C=N\N(C)C)C(F)(F)F
InChIInChI=1S/C23H29F4N3O2/c1-21(2,18-12-17(24)10-11-20(18)32-5)14-22(31,23(25,26)27)15-28-19-9-7-6-8-16(19)13-29-30(3)4/h6-13,28,31H,14-15H2,1-5H3/b29-13-
InChIKeyFBZSNFRVIBFYMF-DBFSUHOCSA-N
MW455.50 g/mol
LogP4.80
Rot. Bonds9

About 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol

2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol (PubChem CID 142983635) has the molecular formula C23H29F4N3O2 and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
PubChem CID142983635
Molecular FormulaC23H29F4N3O2
Molecular Weight455.50 g/mol
Exact Mass455.22
IUPAC Name2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccccc1/C=N\N(C)C)C(F)(F)F
InChIInChI=1S/C23H29F4N3O2/c1-21(2,18-12-17(24)10-11-20(18)32-5)14-22(31,23(25,26)27)15-28-19-9-7-6-8-16(19)13-29-30(3)4/h6-13,28,31H,14-15H2,1-5H3/b29-13-
InChIKeyFBZSNFRVIBFYMF-DBFSUHOCSA-N
XLogP4.80
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(1-methylindol-2-yl)methyl]pentan-2-ol
CID 10238042
2-[4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2,3-dihydroquinoxalin-1-yl]benzaldehyde
CID 87676061
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(6-fluoro-2-pyridinyl)methyl]-4-methylpentan-2-ol
CID 10309505
5-amino-N-[(2S)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 15605456
5-amino-N-[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 59786601
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-2-ol
CID 10454812
2-[(3-chloro-5-methylphenyl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10216465
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The IUPAC name of 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol (CID 142983635) is 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The canonical SMILES for 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccccc1/C=N\N(C)C)C(F)(F)F.
What is the InChIKey of 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
The InChIKey is FBZSNFRVIBFYMF-DBFSUHOCSA-N. The full InChI is InChI=1S/C23H29F4N3O2/c1-21(2,18-12-17(24)10-11-20(18)32-5)14-22(31,23(25,26)27)15-28-19-9-7-6-8-16(19)13-29-30(3)4/h6-13,28,31H,14-15H2,1-5H3/b29-13-.
What are the key properties of 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol?
2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol has a molecular weight of 455.50 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(Z)-(dimethylhydrazinylidene)methyl]anilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 142983635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).