1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol

C13H18F3NO — CID 90023888

IUPAC1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCC(N)c1cc(CC(C)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-12(17)10-5-9(4-8(2)18)6-11(7-10)13(14,15)16/h5-8,12,18H,3-4,17H2,1-2H3
InChIKeyRIZCIZZPYLRZED-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.04
Rot. Bonds4

About 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol

1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 90023888) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID90023888
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCCC(N)c1cc(CC(C)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-12(17)10-5-9(4-8(2)18)6-11(7-10)13(14,15)16/h5-8,12,18H,3-4,17H2,1-2H3
InChIKeyRIZCIZZPYLRZED-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol (CID 90023888) is 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol is CCC(N)c1cc(CC(C)O)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RIZCIZZPYLRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-12(17)10-5-9(4-8(2)18)6-11(7-10)13(14,15)16/h5-8,12,18H,3-4,17H2,1-2H3.
What are the key properties of 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol?
1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 261.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminopropyl)-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 90023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).