5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol

C17H29FN2O — CID 64828310

IUPAC5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(CC)c1cccc(F)c1
InChIInChI=1S/C17H29FN2O/c1-4-11-19-17(3,14-21)10-7-12-20(5-2)16-9-6-8-15(18)13-16/h6,8-9,13,19,21H,4-5,7,10-12,14H2,1-3H3
InChIKeyNDFJPYWNELFDGG-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.18
Rot. Bonds10

About 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol

5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64828310) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64828310
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(CC)c1cccc(F)c1
InChIInChI=1S/C17H29FN2O/c1-4-11-19-17(3,14-21)10-7-12-20(5-2)16-9-6-8-15(18)13-16/h6,8-9,13,19,21H,4-5,7,10-12,14H2,1-3H3
InChIKeyNDFJPYWNELFDGG-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
N-tert-butyl-N'-ethyl-N'-(3-fluorophenyl)butane-1,4-diamine
CID 62428482
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790530
5-(N-ethyl-3-fluoroanilino)-2,2-dimethylpentanethioamide
CID 65259841
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64828310) is 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(CC)c1cccc(F)c1.
What is the InChIKey of 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is NDFJPYWNELFDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-4-11-19-17(3,14-21)10-7-12-20(5-2)16-9-6-8-15(18)13-16/h6,8-9,13,19,21H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol?
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 296.43 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64828310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).