N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C16H17F3N2 — CID 66273581

IUPACN-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1cnccc1C
InChIInChI=1S/C16H17F3N2/c1-11-6-7-21-10-14(11)15(20-2)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,10,15,20H,9H2,1-2H3
InChIKeyVDOULDNRBZNFMD-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.91
Rot. Bonds4

About N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 66273581) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID66273581
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1cnccc1C
InChIInChI=1S/C16H17F3N2/c1-11-6-7-21-10-14(11)15(20-2)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,10,15,20H,9H2,1-2H3
InChIKeyVDOULDNRBZNFMD-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 66273581) is N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cccc(C(F)(F)F)c1)c1cnccc1C.
What is the InChIKey of N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VDOULDNRBZNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11-6-7-21-10-14(11)15(20-2)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,10,15,20H,9H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 66273581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).