N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H17F3N2 — CID 75417275

IUPACN-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3
InChIKeyDFNXLZMWDLHDNP-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.29
Rot. Bonds4

About N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 75417275) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID75417275
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3
InChIKeyDFNXLZMWDLHDNP-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 95120319
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(1S)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97262096
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 99841792
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 75417275) is N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is CC(c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DFNXLZMWDLHDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3.
What are the key properties of N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 75417275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).