3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol

C15H25FN2O — CID 106811339

IUPAC3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-15(19,12-17)10-5-11-18(4-2)14-8-6-13(16)7-9-14/h6-9,19H,3-5,10-12,17H2,1-2H3
InChIKeyAFGJQRAKJVRHAP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.53
Rot. Bonds8

About 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol

3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol (PubChem CID 106811339) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
PubChem CID106811339
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-15(19,12-17)10-5-11-18(4-2)14-8-6-13(16)7-9-14/h6-9,19H,3-5,10-12,17H2,1-2H3
InChIKeyAFGJQRAKJVRHAP-UHFFFAOYSA-N
XLogP2.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol (CID 106811339) is 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol is CCN(CCCC(O)(CC)CN)c1ccc(F)cc1.
What is the InChIKey of 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol?
The InChIKey is AFGJQRAKJVRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-3-15(19,12-17)10-5-11-18(4-2)14-8-6-13(16)7-9-14/h6-9,19H,3-5,10-12,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol?
3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol has a molecular weight of 268.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol is sourced from PubChem (CID 106811339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).