cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride

C11H14ClF3N2O — CID 178036037

IUPACcyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H
InChIKeyHLJGNAODAXKHLU-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.85
Rot. Bonds4

About cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride

cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (PubChem CID 178036037) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
PubChem CID178036037
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Namecyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H
InChIKeyHLJGNAODAXKHLU-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride 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

tert-butyl N-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 178036066
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
CID 168892458
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride
CID 66871394
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
3-methyl-1-[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]butan-1-amine;hydrochloride
CID 70982524
(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine
CID 130657982
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride (CID 178036037) is cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is Cl.NC(c1ccnc(OCC(F)(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is HLJGNAODAXKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)6-17-9-5-8(3-4-16-9)10(15)7-1-2-7;/h3-5,7,10H,1-2,6,15H2;1H.
What are the key properties of cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride?
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 178036037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).