3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C14H20F3N3O — CID 79873857

IUPAC3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCOCC1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-20(9-10-4-6-21-7-5-10)13-11(8-18)2-3-12(19-13)14(15,16)17/h2-3,10H,4-9,18H2,1H3
InChIKeyCYMBCZRFODRJLB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.42
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79873857) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79873857
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCOCC1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-20(9-10-4-6-21-7-5-10)13-11(8-18)2-3-12(19-13)14(15,16)17/h2-3,10H,4-9,18H2,1H3
InChIKeyCYMBCZRFODRJLB-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)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

6-Methyl-2-morpholino-4-(trifluoromethyl)nicotinonitrile
CID 3789900
(6-Methyl-2-(pyrrolidin-1-yl)pyridin-3-yl)methanamine
CID 45792660
2,4-Dimethyl-6-(morpholin-4-yl)pyridin-3-amine
CID 66862754
[(3R*,4R*)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70759852
4-[6-(Trifluoromethyl)pyridin-2-yl]morpholine
CID 26596973
N-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 61777266
7-(Trifluoromethyl)-3,4-dihydropyrido[2,3-d]pyrimidine
CID 138455227
N-(1-(3-phenylpropyl)piperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 139211040
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyridin-2-amine
CID 53623340
3-[(3R,4S)-4-(dimethylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-1-ol
CID 72878668
1-Methyl-3-(6-methylpyridin-2-YL)-1-(oxan-3-ylmethyl)urea
CID 86793306
4-[[1-(6-Methylpyridin-2-yl)piperidin-3-yl]methyl]morpholine
CID 86797229

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 79873857) is 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is CN(CC1CCOCC1)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CYMBCZRFODRJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20(9-10-4-6-21-7-5-10)13-11(8-18)2-3-12(19-13)14(15,16)17/h2-3,10H,4-9,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).