1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine

C26H34F3NO — CID 135244397

IUPAC1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(Oc2ccc3c(CNC4(C)CCCCC4)cccc3c2C(F)(F)F)CC1
InChIInChI=1S/C26H34F3NO/c1-18-9-11-20(12-10-18)31-23-14-13-21-19(17-30-25(2)15-4-3-5-16-25)7-6-8-22(21)24(23)26(27,28)29/h6-8,13-14,18,20,30H,3-5,9-12,15-17H2,1-2H3
InChIKeyKYRYGKMKDQBUFV-UHFFFAOYSA-N
MW433.56 g/mol
LogP7.63
Rot. Bonds5

About 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine

1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine (PubChem CID 135244397) has the molecular formula C26H34F3NO and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine
PubChem CID135244397
Molecular FormulaC26H34F3NO
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(Oc2ccc3c(CNC4(C)CCCCC4)cccc3c2C(F)(F)F)CC1
InChIInChI=1S/C26H34F3NO/c1-18-9-11-20(12-10-18)31-23-14-13-21-19(17-30-25(2)15-4-3-5-16-25)7-6-8-22(21)24(23)26(27,28)29/h6-8,13-14,18,20,30H,3-5,9-12,15-17H2,1-2H3
InChIKeyKYRYGKMKDQBUFV-UHFFFAOYSA-N
XLogP7.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine (CID 135244397) is 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine is CC1CCC(Oc2ccc3c(CNC4(C)CCCCC4)cccc3c2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is KYRYGKMKDQBUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3NO/c1-18-9-11-20(12-10-18)31-23-14-13-21-19(17-30-25(2)15-4-3-5-16-25)7-6-8-22(21)24(23)26(27,28)29/h6-8,13-14,18,20,30H,3-5,9-12,15-17H2,1-2H3.
What are the key properties of 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine?
1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 433.56 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 135244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).