(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine

C12H19F3N2 — CID 112737123

IUPAC(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESN[C@@H](CC1CC1)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-11(16)7-9-1-2-9/h3,9,11H,1-2,4-8,16H2/t11-/m0/s1
InChIKeyHGTZEECXPUPYHG-NSHDSACASA-N
MW248.29 g/mol
LogP2.31
Rot. Bonds4

About (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine

(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 112737123) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID112737123
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESN[C@@H](CC1CC1)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-11(16)7-9-1-2-9/h3,9,11H,1-2,4-8,16H2/t11-/m0/s1
InChIKeyHGTZEECXPUPYHG-NSHDSACASA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-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

4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
(2S)-1-N-[[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pentane-1,2,5-triamine
CID 163878228
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208421
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79208425
1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 112737125
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentyl]methanamine
CID 113591610
1-(piperidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591664
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591672
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591677
2-cyclopropyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 113591680
1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591682

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 112737123) is (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is N[C@@H](CC1CC1)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is HGTZEECXPUPYHG-NSHDSACASA-N. The full InChI is InChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-11(16)7-9-1-2-9/h3,9,11H,1-2,4-8,16H2/t11-/m0/s1.
What are the key properties of (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 248.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 112737123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).