N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine

C13H13F3N2 — CID 84635166

IUPACN-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
SMILESCNCc1c(C(F)(F)F)n2c3c(cccc13)CC2
InChIInChI=1S/C13H13F3N2/c1-17-7-10-9-4-2-3-8-5-6-18(11(8)9)12(10)13(14,15)16/h2-4,17H,5-7H2,1H3
InChIKeyGQJLRAWATBSUFE-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.94
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine

N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine (PubChem CID 84635166) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
PubChem CID84635166
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
SMILESCNCc1c(C(F)(F)F)n2c3c(cccc13)CC2
InChIInChI=1S/C13H13F3N2/c1-17-7-10-9-4-2-3-8-5-6-18(11(8)9)12(10)13(14,15)16/h2-4,17H,5-7H2,1H3
InChIKeyGQJLRAWATBSUFE-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
CID 84629640
3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
CID 3737960
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481
N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
CID 116983814
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetonitrile
CID 116983839
N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
CID 116983863
N-[(2-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-3-yl)methyl]propan-2-amine
CID 84625700
3-methyl-2-(piperazin-1-ylmethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84635796
3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
2-benzyl-3-(trifluoromethyl)-1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
CID 71715041
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine (CID 84635166) is N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine is CNCc1c(C(F)(F)F)n2c3c(cccc13)CC2.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The InChIKey is GQJLRAWATBSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-17-7-10-9-4-2-3-8-5-6-18(11(8)9)12(10)13(14,15)16/h2-4,17H,5-7H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine has a molecular weight of 254.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine is sourced from PubChem (CID 84635166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).