(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol

C14H19F3N2O2 — CID 163771955

IUPAC(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESN[C@H](CN1CCCC1)[C@@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)21-11-5-3-10(4-6-11)13(20)12(18)9-19-7-1-2-8-19/h3-6,12-13,20H,1-2,7-9,18H2/t12-,13+/m1/s1
InChIKeyMHEWNAXFQANNKS-OLZOCXBDSA-N
MW304.31 g/mol
LogP2.04
Rot. Bonds5

About (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol

(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 163771955) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID163771955
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESN[C@H](CN1CCCC1)[C@@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)21-11-5-3-10(4-6-11)13(20)12(18)9-19-7-1-2-8-19/h3-6,12-13,20H,1-2,7-9,18H2/t12-,13+/m1/s1
InChIKeyMHEWNAXFQANNKS-OLZOCXBDSA-N
XLogP2.04
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol with MolForge

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Related Compounds

(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 122579136
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
CID 59864499
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 62718138
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
N'-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-1-carboximidamide
CID 111091169
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
CID 11750799
N-[(1S,2R)-1-hydroxy-1-(4-methoxy-3-methylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 67302576
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol (CID 163771955) is (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol is N[C@H](CN1CCCC1)[C@@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is MHEWNAXFQANNKS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)21-11-5-3-10(4-6-11)13(20)12(18)9-19-7-1-2-8-19/h3-6,12-13,20H,1-2,7-9,18H2/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol?
(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 163771955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).