1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C17H24F3N — CID 107191625

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C1CCCC1(C)C
InChIInChI=1S/C17H24F3N/c1-11-10-12(17(18,19)20)7-8-13(11)15(21-4)14-6-5-9-16(14,2)3/h7-8,10,14-15,21H,5-6,9H2,1-4H3
InChIKeyAOJDFCPBNLZKMM-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.10
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 107191625) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID107191625
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C1CCCC1(C)C
InChIInChI=1S/C17H24F3N/c1-11-10-12(17(18,19)20)7-8-13(11)15(21-4)14-6-5-9-16(14,2)3/h7-8,10,14-15,21H,5-6,9H2,1-4H3
InChIKeyAOJDFCPBNLZKMM-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107177701
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(thiolan-3-yl)methanamine
CID 102757902
1-(4-bromo-2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177838
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107177921
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
N-[6-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758124
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177289

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 107191625) is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1C)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AOJDFCPBNLZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-11-10-12(17(18,19)20)7-8-13(11)15(21-4)14-6-5-9-16(14,2)3/h7-8,10,14-15,21H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107191625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).