(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol

C11H16F3N3O — CID 67271061

IUPAC(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol
SMILESCCN(C[C@H](N)CO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3O/c1-2-17(6-8(15)7-18)9-3-4-10(16-5-9)11(12,13)14/h3-5,8,18H,2,6-7,15H2,1H3/t8-/m0/s1
InChIKeyUERBCQXXSLUEJH-QMMMGPOBSA-N
MW263.26 g/mol
LogP1.25
Rot. Bonds5

About (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol

(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol (PubChem CID 67271061) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol
PubChem CID67271061
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol
SMILESCCN(C[C@H](N)CO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3O/c1-2-17(6-8(15)7-18)9-3-4-10(16-5-9)11(12,13)14/h3-5,8,18H,2,6-7,15H2,1H3/t8-/m0/s1
InChIKeyUERBCQXXSLUEJH-QMMMGPOBSA-N
XLogP1.25
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol (CID 67271061) is (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol is CCN(C[C@H](N)CO)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol?
The InChIKey is UERBCQXXSLUEJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-17(6-8(15)7-18)9-3-4-10(16-5-9)11(12,13)14/h3-5,8,18H,2,6-7,15H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol?
(2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[ethyl-[6-(trifluoromethyl)-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 67271061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).