7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

C12H15F3N2 — CID 90960631

IUPAC7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCc1cc2c(cc1C(F)(F)F)NCCCC2N
InChIInChI=1S/C12H15F3N2/c1-7-5-8-10(16)3-2-4-17-11(8)6-9(7)12(13,14)15/h5-6,10,17H,2-4,16H2,1H3
InChIKeySGAKHTZBSUPAGM-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.22
Rot. Bonds

About 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 90960631) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound Name7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID90960631
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCc1cc2c(cc1C(F)(F)F)NCCCC2N
InChIInChI=1S/C12H15F3N2/c1-7-5-8-10(16)3-2-4-17-11(8)6-9(7)12(13,14)15/h5-6,10,17H,2-4,16H2,1H3
InChIKeySGAKHTZBSUPAGM-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 150192606
6,7-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275649
(5S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-phenyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 150694846
2,3-diamino-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-[7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl]guanidine
CID 143161420
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
7-methyl-1-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 91500079
(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131365388
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
7-methyl-1,1-dimethylidene-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine
CID 59186545
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 90960631) is 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is Cc1cc2c(cc1C(F)(F)F)NCCCC2N.
What is the InChIKey of 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is SGAKHTZBSUPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7-5-8-10(16)3-2-4-17-11(8)6-9(7)12(13,14)15/h5-6,10,17H,2-4,16H2,1H3.
What are the key properties of 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 244.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 90960631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).