[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine

C10H13F3N2 — CID 90949467

IUPAC[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
SMILESCC1C=C(CN)/C=N\C(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3N2/c1-7-2-3-9(10(11,12)13)15-6-8(4-7)5-14/h3-4,6-7H,2,5,14H2,1H3/b8-4?,9-3?,15-6-
InChIKeyVWRZOKRAWFMRFL-ABSKNOHHSA-N
MW218.22 g/mol
LogP2.43
Rot. Bonds1

About [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine

[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine (PubChem CID 90949467) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
PubChem CID90949467
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
SMILESCC1C=C(CN)/C=N\C(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3N2/c1-7-2-3-9(10(11,12)13)15-6-8(4-7)5-14/h3-4,6-7H,2,5,14H2,1H3/b8-4?,9-3?,15-6-
InChIKeyVWRZOKRAWFMRFL-ABSKNOHHSA-N
XLogP2.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine 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

[3-Methyl-2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
CID 68262335
(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine
CID 155354012
(2Z,6E)-7-(1,1-difluoroethyl)-2-methyl-4,5-dihydroazocine
CID 171493546
(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 176958303
(2Z,6E)-2-ethyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 176969220
5-Methyl-2-(trifluoromethyl)-4,5-dihydroazocine-7-carbonitrile
CID 162575832
(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 171493309
(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine
CID 171557948

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine?
The IUPAC name of [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine (CID 90949467) is [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine is CC1C=C(CN)/C=N\C(C(F)(F)F)=CC1.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine?
The InChIKey is VWRZOKRAWFMRFL-ABSKNOHHSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7-2-3-9(10(11,12)13)15-6-8(4-7)5-14/h3-4,6-7H,2,5,14H2,1H3/b8-4?,9-3?,15-6-.
What are the key properties of [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine?
[5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine has a molecular weight of 218.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine is sourced from PubChem (CID 90949467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).