N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H14ClF3N2 — CID 103444525

IUPACN-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C15H14ClF3N2/c1-2-20-13(14-12(16)7-4-8-21-14)10-5-3-6-11(9-10)15(17,18)19/h3-9,13,20H,2H2,1H3
InChIKeyQURSDHHGSFWOJM-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.45
Rot. Bonds4

About N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 103444525) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID103444525
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C15H14ClF3N2/c1-2-20-13(14-12(16)7-4-8-21-14)10-5-3-6-11(9-10)15(17,18)19/h3-9,13,20H,2H2,1H3
InChIKeyQURSDHHGSFWOJM-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
N-[(3-chloro-2-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 103444524
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
[(3-chloro-2-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 103445653
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64631082
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 103444525) is N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is QURSDHHGSFWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-2-20-13(14-12(16)7-4-8-21-14)10-5-3-6-11(9-10)15(17,18)19/h3-9,13,20H,2H2,1H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 314.74 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103444525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).