5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C17H29FN2O — CID 64790530

IUPAC5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCN(CCCC(C)(CO)NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2O/c1-5-20(16-9-7-15(18)8-10-16)12-6-11-17(4,13-21)19-14(2)3/h7-10,14,19,21H,5-6,11-13H2,1-4H3
InChIKeyDJURXSKGFXYHDN-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.18
Rot. Bonds9

About 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64790530) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64790530
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCN(CCCC(C)(CO)NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H29FN2O/c1-5-20(16-9-7-15(18)8-10-16)12-6-11-17(4,13-21)19-14(2)3/h7-10,14,19,21H,5-6,11-13H2,1-4H3
InChIKeyDJURXSKGFXYHDN-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64789337
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64828310
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
CID 106811339
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810357

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64790530) is 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCN(CCCC(C)(CO)NC(C)C)c1ccc(F)cc1.
What is the InChIKey of 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is DJURXSKGFXYHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-5-20(16-9-7-15(18)8-10-16)12-6-11-17(4,13-21)19-14(2)3/h7-10,14,19,21H,5-6,11-13H2,1-4H3.
What are the key properties of 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 296.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64790530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).