1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C16H22F3N — CID 134792944

IUPAC1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)CC1CCCCC1
InChIInChI=1S/C16H22F3N/c1-20(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyHSYZAYNCWLEULW-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.72
Rot. Bonds4

About 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 134792944) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID134792944
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)CC1CCCCC1
InChIInChI=1S/C16H22F3N/c1-20(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyHSYZAYNCWLEULW-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 134792944) is 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is CN(Cc1ccccc1C(F)(F)F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is HSYZAYNCWLEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-20(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 134792944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).