2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol

C12H19FN2O — CID 102813731

IUPAC2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1cc(F)cc(CN)c1
InChIInChI=1S/C12H19FN2O/c1-9(2)15(3-4-16)12-6-10(8-14)5-11(13)7-12/h5-7,9,16H,3-4,8,14H2,1-2H3
InChIKeyBDWGAKOEKUPHOG-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol

2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol (PubChem CID 102813731) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
PubChem CID102813731
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1cc(F)cc(CN)c1
InChIInChI=1S/C12H19FN2O/c1-9(2)15(3-4-16)12-6-10(8-14)5-11(13)7-12/h5-7,9,16H,3-4,8,14H2,1-2H3
InChIKeyBDWGAKOEKUPHOG-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 102815857
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
CID 102859732
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
2-(3-amino-5-fluoro-N-pentan-3-ylanilino)ethanol
CID 54993190
[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
CID 106529699
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol (CID 102813731) is 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1cc(F)cc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol?
The InChIKey is BDWGAKOEKUPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)15(3-4-16)12-6-10(8-14)5-11(13)7-12/h5-7,9,16H,3-4,8,14H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol?
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol has a molecular weight of 226.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 102813731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).