1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine

C11H20F3N — CID 104989547

IUPAC1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(C1CCC(C)C(C)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-7-4-5-9(6-8(7)2)10(15-3)11(12,13)14/h7-10,15H,4-6H2,1-3H3
InChIKeyWQFSFSLAVJKNHR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.21
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine

1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 104989547) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID104989547
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(C1CCC(C)C(C)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-7-4-5-9(6-8(7)2)10(15-3)11(12,13)14/h7-10,15H,4-6H2,1-3H3
InChIKeyWQFSFSLAVJKNHR-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 64986980
[(3,4-dimethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105312462
1-(3,4-dimethylcyclohexyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390042
3-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 104989179
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 64739642
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761248
1-(3,4-dimethylcyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105154410
[cyclopropyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105202513
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-(3,4-dimethylcyclopentyl)-N-methylethanamine
CID 167190559
1-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273893

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine (CID 104989547) is 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine is CNC(C1CCC(C)C(C)C1)C(F)(F)F.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is WQFSFSLAVJKNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-7-4-5-9(6-8(7)2)10(15-3)11(12,13)14/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine?
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 223.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 104989547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).