2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol

C17H27FN2O — CID 64789739

IUPAC2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
SMILESCCN(CCCC(C)(CO)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-20(16-9-5-14(18)6-10-16)12-4-11-17(2,13-21)19-15-7-8-15/h5-6,9-10,15,19,21H,3-4,7-8,11-13H2,1-2H3
InChIKeyVXEASLGUZLTVKX-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.94
Rot. Bonds9

About 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol

2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol (PubChem CID 64789739) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
PubChem CID64789739
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
SMILESCCN(CCCC(C)(CO)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-20(16-9-5-14(18)6-10-16)12-4-11-17(2,13-21)19-15-7-8-15/h5-6,9-10,15,19,21H,3-4,7-8,11-13H2,1-2H3
InChIKeyVXEASLGUZLTVKX-UHFFFAOYSA-N
XLogP2.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol (CID 64789739) is 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol is CCN(CCCC(C)(CO)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol?
The InChIKey is VXEASLGUZLTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-20(16-9-5-14(18)6-10-16)12-4-11-17(2,13-21)19-15-7-8-15/h5-6,9-10,15,19,21H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol?
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol has a molecular weight of 294.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 64789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).