N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine

C17H19F3N2 — CID 170866049

IUPACN,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H19F3N2/c1-22(2)11-3-4-13-5-7-14(8-6-13)16-10-9-15(12-21-16)17(18,19)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyQISGKVLFCOYQFZ-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.26
Rot. Bonds5

About N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine

N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine (PubChem CID 170866049) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine
PubChem CID170866049
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H19F3N2/c1-22(2)11-3-4-13-5-7-14(8-6-13)16-10-9-15(12-21-16)17(18,19)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyQISGKVLFCOYQFZ-UHFFFAOYSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
5-ethenyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 175646912
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine (CID 170866049) is N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine is CN(C)CCCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine?
The InChIKey is QISGKVLFCOYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2/c1-22(2)11-3-4-13-5-7-14(8-6-13)16-10-9-15(12-21-16)17(18,19)20/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine?
N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine has a molecular weight of 308.35 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine is sourced from PubChem (CID 170866049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).