N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine

C13H20F3N — CID 143866552

IUPACN-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESCCN(C)CCC1=CC=CC(C(F)(F)F)C1C
InChIInChI=1S/C13H20F3N/c1-4-17(3)9-8-11-6-5-7-12(10(11)2)13(14,15)16/h5-7,10,12H,4,8-9H2,1-3H3
InChIKeyUBJKYHUQRKFCLX-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine

N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine (PubChem CID 143866552) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
PubChem CID143866552
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESCCN(C)CCC1=CC=CC(C(F)(F)F)C1C
InChIInChI=1S/C13H20F3N/c1-4-17(3)9-8-11-6-5-7-12(10(11)2)13(14,15)16/h5-7,10,12H,4,8-9H2,1-3H3
InChIKeyUBJKYHUQRKFCLX-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine (CID 143866552) is N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine is CCN(C)CCC1=CC=CC(C(F)(F)F)C1C.
What is the InChIKey of N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The InChIKey is UBJKYHUQRKFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-4-17(3)9-8-11-6-5-7-12(10(11)2)13(14,15)16/h5-7,10,12H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine?
N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 143866552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).