1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol

C13H21FN2O — CID 79389415

IUPAC1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
SMILESCNCc1ccc(N(C)CC(C)(C)O)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-13(2,17)9-16(4)12-6-5-10(8-15-3)7-11(12)14/h5-7,15,17H,8-9H2,1-4H3
InChIKeyIJITUUYJTRZOPC-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol

1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol (PubChem CID 79389415) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
PubChem CID79389415
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
SMILESCNCc1ccc(N(C)CC(C)(C)O)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-13(2,17)9-16(4)12-6-5-10(8-15-3)7-11(12)14/h5-7,15,17H,8-9H2,1-4H3
InChIKeyIJITUUYJTRZOPC-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methyl-4-(methylaminomethyl)aniline
CID 54984847
2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
CID 63059492
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
1-[4-(hydroxymethyl)-N,2-dimethylanilino]-2-methylpropan-2-ol
CID 79387346
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
N-butan-2-yl-N-butyl-2-fluoro-4-(methylaminomethyl)aniline
CID 55005435

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol (CID 79389415) is 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol is CNCc1ccc(N(C)CC(C)(C)O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is IJITUUYJTRZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,17)9-16(4)12-6-5-10(8-15-3)7-11(12)14/h5-7,15,17H,8-9H2,1-4H3.
What are the key properties of 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol?
1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).