4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine

C11H17FN2O — CID 63592378

IUPAC4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)C)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7(2)15-11-6-10(14(3)4)9(13)5-8(11)12/h5-7H,13H2,1-4H3
InChIKeyYPNKCADOOQAOIX-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.26
Rot. Bonds3

About 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine

4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63592378) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63592378
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)C)c(N)cc1F
InChIInChI=1S/C11H17FN2O/c1-7(2)15-11-6-10(14(3)4)9(13)5-8(11)12/h5-7H,13H2,1-4H3
InChIKeyYPNKCADOOQAOIX-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.26
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

1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592082
4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63593111
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63594228

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine (CID 63592378) is 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cc(N(C)C)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is YPNKCADOOQAOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)15-11-6-10(14(3)4)9(13)5-8(11)12/h5-7H,13H2,1-4H3.
What are the key properties of 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine?
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63592378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).