3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol

C14H18F3NO — CID 111457473

IUPAC3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCCC(NCc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-1-10(2-6-12)9-18-13(7-8-19)11-3-4-11/h1-2,5-6,11,13,18-19H,3-4,7-9H2
InChIKeyVEAVBVHVWABRES-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.96
Rot. Bonds6

About 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol

3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 111457473) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID111457473
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCCC(NCc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-1-10(2-6-12)9-18-13(7-8-19)11-3-4-11/h1-2,5-6,11,13,18-19H,3-4,7-9H2
InChIKeyVEAVBVHVWABRES-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 111457473) is 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol is OCCC(NCc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is VEAVBVHVWABRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-5-1-10(2-6-12)9-18-13(7-8-19)11-3-4-11/h1-2,5-6,11,13,18-19H,3-4,7-9H2.
What are the key properties of 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 111457473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).