N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

C17H19F3N2 — CID 171910025

IUPACN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCN(CCCc1cccnc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2/c1-22(11-3-5-14-4-2-10-21-12-14)13-15-6-8-16(9-7-15)17(18,19)20/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyINQMUYCJQVOUPM-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.16
Rot. Bonds6

About N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 171910025) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID171910025
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCN(CCCc1cccnc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2/c1-22(11-3-5-14-4-2-10-21-12-14)13-15-6-8-16(9-7-15)17(18,19)20/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyINQMUYCJQVOUPM-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380
[1-hydroxy-3-[methyl(3-pyridin-3-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 19776429
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 171910025) is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is CN(CCCc1cccnc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is INQMUYCJQVOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2/c1-22(11-3-5-14-4-2-10-21-12-14)13-15-6-8-16(9-7-15)17(18,19)20/h2,4,6-10,12H,3,5,11,13H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 308.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 171910025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).