1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol

C13H21FN2O — CID 113295462

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

About 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol

1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol (PubChem CID 113295462) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
PubChem CID113295462
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-4-16(9-13(2,3)17)11-6-5-10(8-15)12(14)7-11/h5-7,17H,4,8-9,15H2,1-3H3
InChIKeyYBBAOJOCGHYCKX-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

4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387446
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorobenzenecarbothioamide
CID 79377057
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol (CID 113295462) is 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(CN)c(F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol?
The InChIKey is YBBAOJOCGHYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-16(9-13(2,3)17)11-6-5-10(8-15)12(14)7-11/h5-7,17H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol?
1-[4-(aminomethyl)-N-ethyl-3-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-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 113295462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).