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

C15H16F3N3 — CID 102709971

IUPACN-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-19-14(5-4-11-3-2-7-20-9-11)12-10-21-8-6-13(12)15(16,17)18/h2-3,6-10,14,19H,4-5H2,1H3
InChIKeyDDYHVQPFOSTQPE-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.39
Rot. Bonds5

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

N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 102709971) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID102709971
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-19-14(5-4-11-3-2-7-20-9-11)12-10-21-8-6-13(12)15(16,17)18/h2-3,6-10,14,19H,4-5H2,1H3
InChIKeyDDYHVQPFOSTQPE-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine
CID 112745747
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 102709971) is N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CNC(CCc1cccnc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is DDYHVQPFOSTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-19-14(5-4-11-3-2-7-20-9-11)12-10-21-8-6-13(12)15(16,17)18/h2-3,6-10,14,19H,4-5H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 102709971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).