7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine

C24H24F3NOS — CID 59212194

IUPAC7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(C(C)c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2
InChIInChI=1S/C24H24F3NOS/c1-16(28-13-11-17-5-8-21(29-2)15-19(17)12-14-28)22-9-10-23(30-22)18-3-6-20(7-4-18)24(25,26)27/h3-10,15-16H,11-14H2,1-2H3
InChIKeyGUGLYNKICYTGDS-UHFFFAOYSA-N
MW431.52 g/mol
LogP6.60
Rot. Bonds4

About 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine

7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 59212194) has the molecular formula C24H24F3NOS and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID59212194
Molecular FormulaC24H24F3NOS
Molecular Weight431.52 g/mol
Exact Mass431.15
IUPAC Name7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(C(C)c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2
InChIInChI=1S/C24H24F3NOS/c1-16(28-13-11-17-5-8-21(29-2)15-19(17)12-14-28)22-9-10-23(30-22)18-3-6-20(7-4-18)24(25,26)27/h3-10,15-16H,11-14H2,1-2H3
InChIKeyGUGLYNKICYTGDS-UHFFFAOYSA-N
XLogP6.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine 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

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-thiophen-2-ylmethyl-amine
CID 44308839
((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
CID 44355355
((R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
CID 44356064
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
6-methoxy-2-(3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinoline
CID 15718691
6-methoxy-2-(4-thiophen-2-ylbutyl)-3,4-dihydro-1H-isoquinoline
CID 15718693
3-(4-methoxyphenyl)-N-[1-(2-thienyl)ethyl]-3-(4-fluorophenyl)-1-propanamine
CID 3400322
5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 2813869
[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
CID 23748774
2-[[3-[[5-[4-(Trifluoromethyl)phenyl]thiophen-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]acetic acid
CID 16752722
2,2,2-Trifluoro-1-(6-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 18172472
N-trifluoroacetyl-7-methoxy-1-methyl-8-(2-thienyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 22292774

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine (CID 59212194) is 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine is COc1ccc2c(c1)CCN(C(C)c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2.
What is the InChIKey of 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is GUGLYNKICYTGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NOS/c1-16(28-13-11-17-5-8-21(29-2)15-19(17)12-14-28)22-9-10-23(30-22)18-3-6-20(7-4-18)24(25,26)27/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 431.52 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 59212194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).