1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol

C11H17FN2O — CID 62335484

IUPAC1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
SMILESCC(O)CN(C)c1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-8(15)7-14(2)11-4-3-9(6-13)5-10(11)12/h3-5,8,15H,6-7,13H2,1-2H3
InChIKeyBPICPCPWLZHVSY-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.10
Rot. Bonds4

About 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol

1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol (PubChem CID 62335484) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
PubChem CID62335484
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
SMILESCC(O)CN(C)c1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-8(15)7-14(2)11-4-3-9(6-13)5-10(11)12/h3-5,8,15H,6-7,13H2,1-2H3
InChIKeyBPICPCPWLZHVSY-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzonitrile
CID 62332966
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol (CID 62335484) is 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol is CC(O)CN(C)c1ccc(CN)cc1F.
What is the InChIKey of 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol?
The InChIKey is BPICPCPWLZHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(15)7-14(2)11-4-3-9(6-13)5-10(11)12/h3-5,8,15H,6-7,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol?
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol is sourced from PubChem (CID 62335484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).