3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline

C12H19FN2O — CID 80752743

IUPAC3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
SMILESCN(C)C(C)(C)COc1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,15(3)4)8-16-11-6-9(13)5-10(14)7-11/h5-7H,8,14H2,1-4H3
InChIKeySBCRJADNJWMYBK-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.13
Rot. Bonds4

About 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline

3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline (PubChem CID 80752743) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
PubChem CID80752743
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
SMILESCN(C)C(C)(C)COc1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,15(3)4)8-16-11-6-9(13)5-10(14)7-11/h5-7H,8,14H2,1-4H3
InChIKeySBCRJADNJWMYBK-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-propoxyaniline
CID 80752315
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
CID 79679748
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
CID 62785817
1-(2,2-dimethylpropoxy)-3-ethoxy-5-fluorobenzene;ethane;propane
CID 170603144
2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
CID 83007835
3-(difluoromethoxy)-5-fluoroaniline
CID 122199503

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline (CID 80752743) is 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline is CN(C)C(C)(C)COc1cc(N)cc(F)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline?
The InChIKey is SBCRJADNJWMYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,15(3)4)8-16-11-6-9(13)5-10(14)7-11/h5-7H,8,14H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline?
3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline has a molecular weight of 226.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline is sourced from PubChem (CID 80752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).