4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline

C12H19FN2 — CID 43443766

IUPAC4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C12H19FN2/c1-9(2)7-15(3)8-10-6-11(13)4-5-12(10)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyVAXCGHROLMXDPT-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.50
Rot. Bonds4

About 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline

4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline (PubChem CID 43443766) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
PubChem CID43443766
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C12H19FN2/c1-9(2)7-15(3)8-10-6-11(13)4-5-12(10)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyVAXCGHROLMXDPT-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 79712299
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline (CID 43443766) is 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline is CC(C)CN(C)Cc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The InChIKey is VAXCGHROLMXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)7-15(3)8-10-6-11(13)4-5-12(10)14/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline has a molecular weight of 210.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 43443766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).