1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine

C14H20F3N — CID 64565584

IUPAC1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H20F3N/c1-10-4-5-12(8-11(10)2)9-13(18-3)6-7-14(15,16)17/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKeyDEVWOHLLSPWKFW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.78
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine

1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 64565584) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID64565584
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H20F3N/c1-10-4-5-12(8-11(10)2)9-13(18-3)6-7-14(15,16)17/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKeyDEVWOHLLSPWKFW-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine (CID 64565584) is 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is DEVWOHLLSPWKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10-4-5-12(8-11(10)2)9-13(18-3)6-7-14(15,16)17/h4-5,8,13,18H,6-7,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 64565584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).