N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C24H25F3N2O — CID 166010595

IUPACN-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C24H25F3N2O/c1-19-6-2-3-8-21(19)18-29(17-20-7-4-13-28-16-20)14-5-15-30-23-11-9-22(10-12-23)24(25,26)27/h2-4,6-13,16H,5,14-15,17-18H2,1H3
InChIKeyUIKTUBGNDGBONK-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.88
Rot. Bonds9

About N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 166010595) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID166010595
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C24H25F3N2O/c1-19-6-2-3-8-21(19)18-29(17-20-7-4-13-28-16-20)14-5-15-30-23-11-9-22(10-12-23)24(25,26)27/h2-4,6-13,16H,5,14-15,17-18H2,1H3
InChIKeyUIKTUBGNDGBONK-UHFFFAOYSA-N
XLogP5.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N,N-bis(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167674896
N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;1-[(2-methylphenyl)methyl-(1-pyridin-3-ylethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167704525
N-[(2-chlorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridazin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;N-[(2-methylphenyl)methyl]-N-(pyridazin-4-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167562452
3-[3-(4-benzylphenoxy)propyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 70128798
2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
CID 154859092
1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010608
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
CID 66960537
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 171910025
1,3-dimethyl-5-[3-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]propoxy]benzimidazol-2-one
CID 140651710
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
CID 15871812
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 166010595) is N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is UIKTUBGNDGBONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-19-6-2-3-8-21(19)18-29(17-20-7-4-13-28-16-20)14-5-15-30-23-11-9-22(10-12-23)24(25,26)27/h2-4,6-13,16H,5,14-15,17-18H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 414.47 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 166010595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).