N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine

C13H20F3N — CID 146521581

IUPACN-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
SMILESCC1C=C(CN(C)C(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N/c1-9(2)17(4)8-11-5-10(3)6-12(7-11)13(14,15)16/h5,7,9-10H,6,8H2,1-4H3
InChIKeyLQHHHZXFXCHUBU-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.78
Rot. Bonds3

About N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine

N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine (PubChem CID 146521581) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
PubChem CID146521581
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
SMILESCC1C=C(CN(C)C(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N/c1-9(2)17(4)8-11-5-10(3)6-12(7-11)13(14,15)16/h5,7,9-10H,6,8H2,1-4H3
InChIKeyLQHHHZXFXCHUBU-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403
6-(2,2-Dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
CID 123621058
3-methyl-N-prop-2-enyl-N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]butan-1-amine
CID 138519067
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 138519121
(2R)-1-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 138526940
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
2-Methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine
CID 142809291
1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
CID 143143754
6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 143349263

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine (CID 146521581) is N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine is CC1C=C(CN(C)C(C)C)C=C(C(F)(F)F)C1.
What is the InChIKey of N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The InChIKey is LQHHHZXFXCHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-9(2)17(4)8-11-5-10(3)6-12(7-11)13(14,15)16/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine has a molecular weight of 247.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 146521581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).