3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol

C9H19F3N2O — CID 103366459

IUPAC3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(4-3-5-15)7-8(6-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyRXQLZKPPNZNIFG-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.83
Rot. Bonds7

About 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol

3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol (PubChem CID 103366459) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol
PubChem CID103366459
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(4-3-5-15)7-8(6-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyRXQLZKPPNZNIFG-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol?
The IUPAC name of 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol (CID 103366459) is 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol is CCN(CCCO)CC(CN)C(F)(F)F.
What is the InChIKey of 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol?
The InChIKey is RXQLZKPPNZNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-14(4-3-5-15)7-8(6-13)9(10,11)12/h8,15H,2-7,13H2,1H3.
What are the key properties of 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol?
3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-ethylamino]propan-1-ol is sourced from PubChem (CID 103366459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).