(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C16H18F3N3 — CID 95128722

IUPAC(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC[C@@H](c1cccnc1)N(C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H18F3N3/c1-3-14(13-5-4-8-20-10-13)22(2)11-12-6-7-15(21-9-12)16(17,18)19/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyMSCNVCFSCAQEPF-AWEZNQCLSA-N
MW309.34 g/mol
LogP4.08
Rot. Bonds5

About (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 95128722) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID95128722
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC[C@@H](c1cccnc1)N(C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H18F3N3/c1-3-14(13-5-4-8-20-10-13)22(2)11-12-6-7-15(21-9-12)16(17,18)19/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyMSCNVCFSCAQEPF-AWEZNQCLSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 95128722) is (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CC[C@@H](c1cccnc1)N(C)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MSCNVCFSCAQEPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-3-14(13-5-4-8-20-10-13)22(2)11-12-6-7-15(21-9-12)16(17,18)19/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
(1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 309.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 95128722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).