(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine

C21H24F3N3 — CID 155265679

IUPAC(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CNCC2(CN[C@H]3CC3c3ccccc3)CC2)cn1
InChIInChI=1S/C21H24F3N3/c22-21(23,24)19-7-6-15(12-26-19)11-25-13-20(8-9-20)14-27-18-10-17(18)16-4-2-1-3-5-16/h1-7,12,17-18,25,27H,8-11,13-14H2/t17?,18-/m0/s1
InChIKeyUWCITXSUQOWIMY-ZVAWYAOSSA-N
MW375.44 g/mol
LogP4.12
Rot. Bonds8

About (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine

(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine (PubChem CID 155265679) has the molecular formula C21H24F3N3 and a molecular weight of 375.44 g/mol. Its IUPAC name is (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine
PubChem CID155265679
Molecular FormulaC21H24F3N3
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccc(CNCC2(CN[C@H]3CC3c3ccccc3)CC2)cn1
InChIInChI=1S/C21H24F3N3/c22-21(23,24)19-7-6-15(12-26-19)11-25-13-20(8-9-20)14-27-18-10-17(18)16-4-2-1-3-5-16/h1-7,12,17-18,25,27H,8-11,13-14H2/t17?,18-/m0/s1
InChIKeyUWCITXSUQOWIMY-ZVAWYAOSSA-N
XLogP4.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine (CID 155265679) is (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine is FC(F)(F)c1ccc(CNCC2(CN[C@H]3CC3c3ccccc3)CC2)cn1.
What is the InChIKey of (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The InChIKey is UWCITXSUQOWIMY-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H24F3N3/c22-21(23,24)19-7-6-15(12-26-19)11-25-13-20(8-9-20)14-27-18-10-17(18)16-4-2-1-3-5-16/h1-7,12,17-18,25,27H,8-11,13-14H2/t17?,18-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine?
(1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine has a molecular weight of 375.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-[[1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclopropyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 155265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).