N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine

C16H17F3N2 — CID 115854580

IUPACN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h4-10,15,20H,3H2,1-2H3
InChIKeySYWNJWNYXUBWRU-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.11
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 115854580) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID115854580
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h4-10,15,20H,3H2,1-2H3
InChIKeySYWNJWNYXUBWRU-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(6-methyl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115854651
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 115854580) is N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is SYWNJWNYXUBWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-20-15(12-9-8-11(2)21-10-12)13-6-4-5-7-14(13)16(17,18)19/h4-10,15,20H,3H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115854580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).