1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine

C14H20F3N — CID 115516607

IUPAC1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
SMILESCc1cc(C)cc(CC(N)CCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10-6-11(2)8-12(7-10)9-13(18)4-3-5-14(15,16)17/h6-8,13H,3-5,9,18H2,1-2H3
InChIKeyUEGYVYWJNWYHBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.91
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine

1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine (PubChem CID 115516607) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
PubChem CID115516607
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
SMILESCc1cc(C)cc(CC(N)CCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10-6-11(2)8-12(7-10)9-13(18)4-3-5-14(15,16)17/h6-8,13H,3-5,9,18H2,1-2H3
InChIKeyUEGYVYWJNWYHBS-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amphetamine
CID 3007
Dextroamphetamine
CID 5826
Fenfluramine
CID 3337
Dexfenfluramine
CID 66265
(-)-Amphetamine
CID 32893
(+-)-Norfenfluramine
CID 15897
(+)-Fenfluramine hydrochloride
CID 66264
Fenfluramine Hydrochloride
CID 91452
1-Methyl-3-phenylpropylamine
CID 31160
Amphetamine Hydrochloride
CID 92939
(+-)-p-Fluoroamphetamine
CID 9986
Phenethylamine, m-trifluoromethyl-
CID 104223

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine (CID 115516607) is 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine is Cc1cc(C)cc(CC(N)CCCC(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine?
The InChIKey is UEGYVYWJNWYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10-6-11(2)8-12(7-10)9-13(18)4-3-5-14(15,16)17/h6-8,13H,3-5,9,18H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine?
1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 115516607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).