N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine

C15H18F3N — CID 162560061

IUPACN-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine
SMILESC=CNCC1C=CC2C(=CC=C(C)C2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N/c1-3-19-9-11-5-7-13-12(8-11)6-4-10(2)14(13)15(16,17)18/h3-7,11,13-14,19H,1,8-9H2,2H3
InChIKeyTWCCRIJQWSKYHI-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.98
Rot. Bonds3

About N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine

N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine (PubChem CID 162560061) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine.

Molecular Properties

Compound NameN-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine
PubChem CID162560061
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine
SMILESC=CNCC1C=CC2C(=CC=C(C)C2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N/c1-3-19-9-11-5-7-13-12(8-11)6-4-10(2)14(13)15(16,17)18/h3-7,11,13-14,19H,1,8-9H2,2H3
InChIKeyTWCCRIJQWSKYHI-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine?
The IUPAC name of N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine (CID 162560061) is N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine.
What is the SMILES notation for N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine?
The canonical SMILES for N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine is C=CNCC1C=CC2C(=CC=C(C)C2C(F)(F)F)C1.
What is the InChIKey of N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine?
The InChIKey is TWCCRIJQWSKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c1-3-19-9-11-5-7-13-12(8-11)6-4-10(2)14(13)15(16,17)18/h3-7,11,13-14,19H,1,8-9H2,2H3.
What are the key properties of N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine?
N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine has a molecular weight of 269.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-5-(trifluoromethyl)-1,2,4a,5-tetrahydronaphthalen-2-yl]methyl]ethenamine is sourced from PubChem (CID 162560061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).