[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine

C16H22F3NO — CID 65050673

IUPAC[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3NO/c1-12-6-8-15(11-20,9-7-12)21-10-13-2-4-14(5-3-13)16(17,18)19/h2-5,12H,6-11,20H2,1H3
InChIKeyYMAWFTQGSFSILA-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.13
Rot. Bonds4

About [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine (PubChem CID 65050673) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
PubChem CID65050673
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3NO/c1-12-6-8-15(11-20,9-7-12)21-10-13-2-4-14(5-3-13)16(17,18)19/h2-5,12H,6-11,20H2,1H3
InChIKeyYMAWFTQGSFSILA-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine (CID 65050673) is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine is CC1CCC(CN)(OCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine?
The InChIKey is YMAWFTQGSFSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-12-6-8-15(11-20,9-7-12)21-10-13-2-4-14(5-3-13)16(17,18)19/h2-5,12H,6-11,20H2,1H3.
What are the key properties of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine?
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65050673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).