1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol

C13H21FN2O — CID 79384354

IUPAC1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2O/c1-4-16(9-13(2,3)17)12-6-5-11(14)7-10(12)8-15/h5-7,17H,4,8-9,15H2,1-3H3
InChIKeyMCKHPRRKCBITEK-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol

1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol (PubChem CID 79384354) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
PubChem CID79384354
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2O/c1-4-16(9-13(2,3)17)12-6-5-11(14)7-10(12)8-15/h5-7,17H,4,8-9,15H2,1-3H3
InChIKeyMCKHPRRKCBITEK-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorobenzenecarbothioamide
CID 79377057
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
CID 79387948
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol (CID 79384354) is 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(F)cc1CN.
What is the InChIKey of 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol?
The InChIKey is MCKHPRRKCBITEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-16(9-13(2,3)17)12-6-5-11(14)7-10(12)8-15/h5-7,17H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol?
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).