2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol

C10H15FN2O — CID 60960608

IUPAC2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O/c1-13(4-5-14)10-3-2-8(7-12)6-9(10)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyFMIOWVKLXZNBSI-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.71
Rot. Bonds4

About 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol

2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol (PubChem CID 60960608) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
PubChem CID60960608
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O/c1-13(4-5-14)10-3-2-8(7-12)6-9(10)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyFMIOWVKLXZNBSI-UHFFFAOYSA-N
XLogP0.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186
2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol (CID 60960608) is 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol is CN(CCO)c1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol?
The InChIKey is FMIOWVKLXZNBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-13(4-5-14)10-3-2-8(7-12)6-9(10)11/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol?
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol has a molecular weight of 198.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol is sourced from PubChem (CID 60960608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).