5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine

C14H20F3N — CID 105024104

IUPAC5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCc1cc(C)c(C(N)CCCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H20F3N/c1-9-7-10(2)13(11(3)8-9)12(18)5-4-6-14(15,16)17/h7-8,12H,4-6,18H2,1-3H3
InChIKeyROSMQRSANVPSQA-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.34
Rot. Bonds4

About 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine

5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine (PubChem CID 105024104) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
PubChem CID105024104
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCc1cc(C)c(C(N)CCCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H20F3N/c1-9-7-10(2)13(11(3)8-9)12(18)5-4-6-14(15,16)17/h7-8,12H,4-6,18H2,1-3H3
InChIKeyROSMQRSANVPSQA-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethylphenol;hydrochloride
CID 171198715
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105313895
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
CID 115516607
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
toluene;6,6,6-trifluorohexane-1,2-diamine
CID 143077425
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine (CID 105024104) is 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine is Cc1cc(C)c(C(N)CCCC(F)(F)F)c(C)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The InChIKey is ROSMQRSANVPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-9-7-10(2)13(11(3)8-9)12(18)5-4-6-14(15,16)17/h7-8,12H,4-6,18H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine?
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine is sourced from PubChem (CID 105024104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).