1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol

C15H25FN2O — CID 79387948

IUPAC1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(C(C)NC)cc1F
InChIInChI=1S/C15H25FN2O/c1-6-18(10-15(3,4)19)14-8-7-12(9-13(14)16)11(2)17-5/h7-9,11,17,19H,6,10H2,1-5H3
InChIKeyWFYMNIGOIKDJAP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.70
Rot. Bonds6

About 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol

1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol (PubChem CID 79387948) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
PubChem CID79387948
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(C(C)NC)cc1F
InChIInChI=1S/C15H25FN2O/c1-6-18(10-15(3,4)19)14-8-7-12(9-13(14)16)11(2)17-5/h7-9,11,17,19H,6,10H2,1-5H3
InChIKeyWFYMNIGOIKDJAP-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorobenzenecarbothioamide
CID 79377057
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660633
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
2-bromo-N-ethyl-4-[1-(methylamino)ethyl]-N-propylaniline
CID 55133038
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973

Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol (CID 79387948) is 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(C(C)NC)cc1F.
What is the InChIKey of 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol?
The InChIKey is WFYMNIGOIKDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-6-18(10-15(3,4)19)14-8-7-12(9-13(14)16)11(2)17-5/h7-9,11,17,19H,6,10H2,1-5H3.
What are the key properties of 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol?
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol has a molecular weight of 268.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79387948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).