1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol

C14H18F3NO2 — CID 63319679

IUPAC1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(CNC2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-9(19)8-20-13-5-2-10(7-18-11-3-4-11)6-12(13)14(15,16)17/h2,5-6,9,11,18-19H,3-4,7-8H2,1H3
InChIKeyWAUJEGAXYGXJEQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.72
Rot. Bonds6

About 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol

1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 63319679) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID63319679
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(CNC2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-9(19)8-20-13-5-2-10(7-18-11-3-4-11)6-12(13)14(15,16)17/h2,5-6,9,11,18-19H,3-4,7-8H2,1H3
InChIKeyWAUJEGAXYGXJEQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 63319851
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63320117
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 55204337
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119106703
N-[[4-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 107783077
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol (CID 63319679) is 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol is CC(O)COc1ccc(CNC2CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is WAUJEGAXYGXJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9(19)8-20-13-5-2-10(7-18-11-3-4-11)6-12(13)14(15,16)17/h2,5-6,9,11,18-19H,3-4,7-8H2,1H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 63319679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).