2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

C11H14F3NO — CID 43184303

IUPAC2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10-3-1-8(2-4-10)5-9(6-15)7-16/h1-4,9,16H,5-7,15H2
InChIKeyHYJBAQRUUJIMAS-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.82
Rot. Bonds4

About 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 43184303) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID43184303
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10-3-1-8(2-4-10)5-9(6-15)7-16/h1-4,9,16H,5-7,15H2
InChIKeyHYJBAQRUUJIMAS-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 43184303) is 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is NCC(CO)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is HYJBAQRUUJIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)10-3-1-8(2-4-10)5-9(6-15)7-16/h1-4,9,16H,5-7,15H2.
What are the key properties of 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 43184303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).