2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol

C15H20F3NO2 — CID 111977184

IUPAC2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1cccc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H20F3NO2/c1-14(9-20,12-5-6-12)19-8-11-3-2-4-13(7-11)21-10-15(16,17)18/h2-4,7,12,19-20H,5-6,8-10H2,1H3
InChIKeyMQDMPKRVUUESHI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.88
Rot. Bonds7

About 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol

2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol (PubChem CID 111977184) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
PubChem CID111977184
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1cccc(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H20F3NO2/c1-14(9-20,12-5-6-12)19-8-11-3-2-4-13(7-11)21-10-15(16,17)18/h2-4,7,12,19-20H,5-6,8-10H2,1H3
InChIKeyMQDMPKRVUUESHI-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
CID 64810413
1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55780067
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
CID 111421772
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
1-(methylsulfanylmethyl)-3-(2,2,2-trifluoroethoxy)benzene
CID 146722798

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol (CID 111977184) is 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol is CC(CO)(NCc1cccc(OCC(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol?
The InChIKey is MQDMPKRVUUESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(9-20,12-5-6-12)19-8-11-3-2-4-13(7-11)21-10-15(16,17)18/h2-4,7,12,19-20H,5-6,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol?
2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol has a molecular weight of 303.32 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 111977184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).