2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol

C12H19FN2O — CID 102814302

IUPAC2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
SMILESCN(c1cc(F)cc(CN)c1)C(C)(C)CO
InChIInChI=1S/C12H19FN2O/c1-12(2,8-16)15(3)11-5-9(7-14)4-10(13)6-11/h4-6,16H,7-8,14H2,1-3H3
InChIKeyXZDYQAZJUPBKHR-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.49
Rot. Bonds4

About 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol

2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol (PubChem CID 102814302) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
PubChem CID102814302
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
SMILESCN(c1cc(F)cc(CN)c1)C(C)(C)CO
InChIInChI=1S/C12H19FN2O/c1-12(2,8-16)15(3)11-5-9(7-14)4-10(13)6-11/h4-6,16H,7-8,14H2,1-3H3
InChIKeyXZDYQAZJUPBKHR-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
3-(chloromethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 106530471
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 102814033
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
CID 102813438
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
CID 102813911
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
CID 102859732
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol (CID 102814302) is 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol is CN(c1cc(F)cc(CN)c1)C(C)(C)CO.
What is the InChIKey of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol?
The InChIKey is XZDYQAZJUPBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,8-16)15(3)11-5-9(7-14)4-10(13)6-11/h4-6,16H,7-8,14H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol?
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 1.49, 4 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-methylanilino]-2-methylpropan-1-ol is sourced from PubChem (CID 102814302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).