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

C16H17F3N2 — CID 114698972

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnccc1CNC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2/c1-11-9-20-7-6-14(11)10-21-12(2)13-4-3-5-15(8-13)16(17,18)19/h3-9,12,21H,10H2,1-2H3
InChIKeyANIAYJLQSWUOMX-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.26
Rot. Bonds4

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

N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 114698972) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID114698972
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnccc1CNC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2/c1-11-9-20-7-6-14(11)10-21-12(2)13-4-3-5-15(8-13)16(17,18)19/h3-9,12,21H,10H2,1-2H3
InChIKeyANIAYJLQSWUOMX-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723810
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
N-(pyrimidin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62747287
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 109402462
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 114698972) is N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is Cc1cnccc1CNC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ANIAYJLQSWUOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11-9-20-7-6-14(11)10-21-12(2)13-4-3-5-15(8-13)16(17,18)19/h3-9,12,21H,10H2,1-2H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 114698972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).