(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C14H13F4N3 — CID 168750275

IUPAC(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ncccc1F
InChIInChI=1S/C14H13F4N3/c1-9(13-12(15)3-2-6-19-13)20-8-11-5-4-10(7-21-11)14(16,17)18/h2-7,9,20H,8H2,1H3/t9-/m1/s1
InChIKeyLQDDHBXPLZTDBK-SECBINFHSA-N
MW299.27 g/mol
LogP3.49
Rot. Bonds4

About (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 168750275) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID168750275
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ncccc1F
InChIInChI=1S/C14H13F4N3/c1-9(13-12(15)3-2-6-19-13)20-8-11-5-4-10(7-21-11)14(16,17)18/h2-7,9,20H,8H2,1H3/t9-/m1/s1
InChIKeyLQDDHBXPLZTDBK-SECBINFHSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
CID 168750252
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750268
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
CID 156830619
1-(6-isocyano-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750318
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 168750275) is (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ncccc1F.
What is the InChIKey of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is LQDDHBXPLZTDBK-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-9(13-12(15)3-2-6-19-13)20-8-11-5-4-10(7-21-11)14(16,17)18/h2-7,9,20H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 168750275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).