N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H20F3N3O — CID 79537456

IUPACN-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(CC1CCCN1)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H20F3N3O/c1-10(7-11-3-2-6-18-11)20-12-4-5-13(19-8-12)21-9-14(15,16)17/h4-5,8,10-11,18,20H,2-3,6-7,9H2,1H3
InChIKeyDBEMRQHXZSUONL-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.97
Rot. Bonds6

About N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 79537456) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID79537456
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(CC1CCCN1)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H20F3N3O/c1-10(7-11-3-2-6-18-11)20-12-4-5-13(19-8-12)21-9-14(15,16)17/h4-5,8,10-11,18,20H,2-3,6-7,9H2,1H3
InChIKeyDBEMRQHXZSUONL-UHFFFAOYSA-N
XLogP2.97
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]azepan-4-amine
CID 103981038
1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82711010
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 79537456) is N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC(CC1CCCN1)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is DBEMRQHXZSUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10(7-11-3-2-6-18-11)20-12-4-5-13(19-8-12)21-9-14(15,16)17/h4-5,8,10-11,18,20H,2-3,6-7,9H2,1H3.
What are the key properties of N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 79537456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).