N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

C10H14F3NO — CID 147370109

IUPACN-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCNCC1=CC(OC(F)(F)F)=CCC1C
InChIInChI=1S/C10H14F3NO/c1-7-3-4-9(15-10(11,12)13)5-8(7)6-14-2/h4-5,7,14H,3,6H2,1-2H3
InChIKeyDIXXOIOVMTVJRP-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 147370109) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID147370109
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCNCC1=CC(OC(F)(F)F)=CCC1C
InChIInChI=1S/C10H14F3NO/c1-7-3-4-9(15-10(11,12)13)5-8(7)6-14-2/h4-5,7,14H,3,6H2,1-2H3
InChIKeyDIXXOIOVMTVJRP-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (CID 147370109) is N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is CNCC1=CC(OC(F)(F)F)=CCC1C.
What is the InChIKey of N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is DIXXOIOVMTVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7-3-4-9(15-10(11,12)13)5-8(7)6-14-2/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 221.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 147370109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).