[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine

C14H20F3NO — CID 163652829

IUPAC[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine
SMILESCC12C=CC(OCC(F)(F)F)=CC1CCCC2CN
InChIInChI=1S/C14H20F3NO/c1-13-6-5-12(19-9-14(15,16)17)7-10(13)3-2-4-11(13)8-18/h5-7,10-11H,2-4,8-9,18H2,1H3
InChIKeyINRMNXPTTLHLER-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds3

About [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine

[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine (PubChem CID 163652829) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine
PubChem CID163652829
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine
SMILESCC12C=CC(OCC(F)(F)F)=CC1CCCC2CN
InChIInChI=1S/C14H20F3NO/c1-13-6-5-12(19-9-14(15,16)17)7-10(13)3-2-4-11(13)8-18/h5-7,10-11H,2-4,8-9,18H2,1H3
InChIKeyINRMNXPTTLHLER-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine?
The IUPAC name of [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine (CID 163652829) is [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine?
The canonical SMILES for [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine is CC12C=CC(OCC(F)(F)F)=CC1CCCC2CN.
What is the InChIKey of [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine?
The InChIKey is INRMNXPTTLHLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13-6-5-12(19-9-14(15,16)17)7-10(13)3-2-4-11(13)8-18/h5-7,10-11H,2-4,8-9,18H2,1H3.
What are the key properties of [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine?
[8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine has a molecular weight of 275.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8a-methyl-6-(2,2,2-trifluoroethoxy)-2,3,4,4a-tetrahydro-1H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 163652829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).