N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine

C16H17F3N2 — CID 46044426

IUPACN-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCN(C)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2/c1-3-21(2)11-12-7-14(10-20-9-12)13-5-4-6-15(8-13)16(17,18)19/h4-10H,3,11H2,1-2H3
InChIKeySGJLMUUKAHKQBX-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.22
Rot. Bonds4

About N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine

N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine (PubChem CID 46044426) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
PubChem CID46044426
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCN(C)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2/c1-3-21(2)11-12-7-14(10-20-9-12)13-5-4-6-15(8-13)16(17,18)19/h4-10H,3,11H2,1-2H3
InChIKeySGJLMUUKAHKQBX-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
N-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-N-methylethanamine
CID 46044503
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
CID 46044327
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
CID 134532799
N,N,3-trimethyl-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 134417261
N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 77090966
ethane;propane-2-thiol;5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 143531112
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine (CID 46044426) is N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine is CCN(C)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is SGJLMUUKAHKQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-21(2)11-12-7-14(10-20-9-12)13-5-4-6-15(8-13)16(17,18)19/h4-10H,3,11H2,1-2H3.
What are the key properties of N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine?
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 46044426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).