3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine

C13H18ClF3N2 — CID 63198526

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1ncc(C(F)(F)F)cc1Cl)C(C)C
InChIInChI=1S/C13H18ClF3N2/c1-7(2)11(8(3)18-4)12-10(14)5-9(6-19-12)13(15,16)17/h5-8,11,18H,1-4H3
InChIKeyVKBPLNONZNVJQA-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.10
Rot. Bonds4

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine (PubChem CID 63198526) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
PubChem CID63198526
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1ncc(C(F)(F)F)cc1Cl)C(C)C
InChIInChI=1S/C13H18ClF3N2/c1-7(2)11(8(3)18-4)12-10(14)5-9(6-19-12)13(15,16)17/h5-8,11,18H,1-4H3
InChIKeyVKBPLNONZNVJQA-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-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

3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 87120690
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
CID 23078241
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine (CID 63198526) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine is CNC(C)C(c1ncc(C(F)(F)F)cc1Cl)C(C)C.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine?
The InChIKey is VKBPLNONZNVJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-7(2)11(8(3)18-4)12-10(14)5-9(6-19-12)13(15,16)17/h5-8,11,18H,1-4H3.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine has a molecular weight of 294.75 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63198526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).