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

C14H13ClF3N3 — CID 168750268

IUPAC(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClF3N3/c1-9(13-5-3-11(15)7-21-13)19-8-12-4-2-10(6-20-12)14(16,17)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyRWRNUMIKAULYJV-SECBINFHSA-N
MW315.73 g/mol
LogP4.00
Rot. Bonds4

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

(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 168750268) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID168750268
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClF3N3/c1-9(13-5-3-11(15)7-21-13)19-8-12-4-2-10(6-20-12)14(16,17)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyRWRNUMIKAULYJV-SECBINFHSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
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
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
(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
5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159973347
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
N-[1-(5-chloro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 131086161
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 168750268) is (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cn1.
What is the InChIKey of (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is RWRNUMIKAULYJV-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-9(13-5-3-11(15)7-21-13)19-8-12-4-2-10(6-20-12)14(16,17)18/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 315.73 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 168750268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).