1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine

C13H18F3N — CID 105024239

IUPAC1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCc1cccc(C(N)CCCC(F)(F)F)c1C
InChIInChI=1S/C13H18F3N/c1-9-5-3-6-11(10(9)2)12(17)7-4-8-13(14,15)16/h3,5-6,12H,4,7-8,17H2,1-2H3
InChIKeyFKLTUQYJXCBHHI-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.04
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine

1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105024239) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID105024239
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCc1cccc(C(N)CCCC(F)(F)F)c1C
InChIInChI=1S/C13H18F3N/c1-9-5-3-6-11(10(9)2)12(17)7-4-8-13(14,15)16/h3,5-6,12H,4,7-8,17H2,1-2H3
InChIKeyFKLTUQYJXCBHHI-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-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

1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
1-(2,3-dimethylphenyl)oct-7-en-1-amine
CID 107011723
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
1-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788381
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine (CID 105024239) is 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine is Cc1cccc(C(N)CCCC(F)(F)F)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is FKLTUQYJXCBHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9-5-3-6-11(10(9)2)12(17)7-4-8-13(14,15)16/h3,5-6,12H,4,7-8,17H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine?
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105024239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).