N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine

C13H18ClF3N2 — CID 106117408

IUPACN-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(CCCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H18ClF3N2/c1-2-3-10(4-6-14)9-19-12-8-11(5-7-18-12)13(15,16)17/h5,7-8,10H,2-4,6,9H2,1H3,(H,18,19)
InChIKeyNPFPOXUYIPWCSX-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.56
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine

N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106117408) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106117408
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC NameN-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(CCCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H18ClF3N2/c1-2-3-10(4-6-14)9-19-12-8-11(5-7-18-12)13(15,16)17/h5,7-8,10H,2-4,6,9H2,1H3,(H,18,19)
InChIKeyNPFPOXUYIPWCSX-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-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

N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine (CID 106117408) is N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine is CCCC(CCCl)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NPFPOXUYIPWCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-2-3-10(4-6-14)9-19-12-8-11(5-7-18-12)13(15,16)17/h5,7-8,10H,2-4,6,9H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106117408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).