(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol

C14H18F3NO — CID 102468969

IUPAC(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol
SMILESCN(C[C@@H]1C[C@@H]1c1ccccc1)C[C@H](O)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18(9-13(19)14(15,16)17)8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-13,19H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyZBNXMPOTIIWTOU-XQQFMLRXSA-N
MW273.30 g/mol
LogP2.65
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol

(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol (PubChem CID 102468969) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol
PubChem CID102468969
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol
SMILESCN(C[C@@H]1C[C@@H]1c1ccccc1)C[C@H](O)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18(9-13(19)14(15,16)17)8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-13,19H,7-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyZBNXMPOTIIWTOU-XQQFMLRXSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol (CID 102468969) is (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol is CN(C[C@@H]1C[C@@H]1c1ccccc1)C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol?
The InChIKey is ZBNXMPOTIIWTOU-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18(9-13(19)14(15,16)17)8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-13,19H,7-9H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 102468969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).