3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C14H20F3N3O — CID 79873577

IUPAC3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3
InChIKeyRFIARJLYFUXVNU-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.56
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79873577) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79873577
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3
InChIKeyRFIARJLYFUXVNU-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Oxolan-2-ylmethyl)[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amine
CID 2985365
4-(difluoromethyl)-6-(4-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 3244132
4-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 2991012
(6-Methyl-2-(pyrrolidin-1-yl)pyridin-3-yl)methanamine
CID 45792660
N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2990775
n-((Tetrahydrofuran-2-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
3-{[(4-fluorobenzyl)(tetrahydrofuran-2-ylmethyl)amino]methyl}-N-methylpyridin-2-amine
CID 46995114
{1-[6-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl}methanol
CID 61777690
[(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71996660
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773952
6-[ethyl-[(3S)-oxolan-3-yl]amino]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 124887051
[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
CID 125435383

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 79873577) is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is CCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RFIARJLYFUXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79873577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).