4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

C12H13F6N3 — CID 155949375

IUPAC4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C12H13F6N3/c13-11(14,15)10(12(16,17)18)2-4-21(7-10)6-8-1-3-20-9(19)5-8/h1,3,5H,2,4,6-7H2,(H2,19,20)
InChIKeyFZHROCRGVVERGX-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.98
Rot. Bonds2

About 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 155949375) has the molecular formula C12H13F6N3 and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID155949375
Molecular FormulaC12H13F6N3
Molecular Weight313.25 g/mol
Exact Mass313.10
IUPAC Name4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C12H13F6N3/c13-11(14,15)10(12(16,17)18)2-4-21(7-10)6-8-1-3-20-9(19)5-8/h1,3,5H,2,4,6-7H2,(H2,19,20)
InChIKeyFZHROCRGVVERGX-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]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

[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110009060
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone
CID 143930920
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124626355
4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
CID 154769202
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124889899
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 100699222

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 155949375) is 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccn1.
What is the InChIKey of 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is FZHROCRGVVERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3/c13-11(14,15)10(12(16,17)18)2-4-21(7-10)6-8-1-3-20-9(19)5-8/h1,3,5H,2,4,6-7H2,(H2,19,20).
What are the key properties of 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 155949375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).