N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine

C27H26F4N2 — CID 162578259

IUPACN-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCCC1CCC=C(Nc2nc(-c3ccccc3C(F)(F)F)cc(C)c2C)c2cc(F)ccc21
InChIInChI=1S/C27H26F4N2/c1-4-18-8-7-11-24(22-15-19(28)12-13-20(18)22)32-26-17(3)16(2)14-25(33-26)21-9-5-6-10-23(21)27(29,30)31/h5-6,9-15,18H,4,7-8H2,1-3H3,(H,32,33)
InChIKeyXERPIUISJODCAP-UHFFFAOYSA-N
MW454.51 g/mol
LogP8.26
Rot. Bonds4

About N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine

N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 162578259) has the molecular formula C27H26F4N2 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID162578259
Molecular FormulaC27H26F4N2
Molecular Weight454.51 g/mol
Exact Mass454.20
IUPAC NameN-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCCC1CCC=C(Nc2nc(-c3ccccc3C(F)(F)F)cc(C)c2C)c2cc(F)ccc21
InChIInChI=1S/C27H26F4N2/c1-4-18-8-7-11-24(22-15-19(28)12-13-20(18)22)32-26-17(3)16(2)14-25(33-26)21-9-5-6-10-23(21)27(29,30)31/h5-6,9-15,18H,4,7-8H2,1-3H3,(H,32,33)
InChIKeyXERPIUISJODCAP-UHFFFAOYSA-N
XLogP8.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine 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

N-(3-ethyl-6-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162548998
N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
CID 142125698
2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126512
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112186
2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
CID 178100947
3-ethyl-N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3H-isoindol-1-amine
CID 142127468
N-[6-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795223
N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
N-(3-ethyl-3H-isoindol-1-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126258

Frequently Asked Questions

What is the IUPAC name of N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine (CID 162578259) is N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine is CCC1CCC=C(Nc2nc(-c3ccccc3C(F)(F)F)cc(C)c2C)c2cc(F)ccc21.
What is the InChIKey of N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is XERPIUISJODCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N2/c1-4-18-8-7-11-24(22-15-19(28)12-13-20(18)22)32-26-17(3)16(2)14-25(33-26)21-9-5-6-10-23(21)27(29,30)31/h5-6,9-15,18H,4,7-8H2,1-3H3,(H,32,33).
What are the key properties of N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 454.51 g/mol, XLogP of 8.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 162578259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).