4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine

C14H23FN2O — CID 63981601

IUPAC4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)C(C)(C)CC)c(N)cc1F
InChIInChI=1S/C14H23FN2O/c1-6-14(3,4)17(5)12-9-13(18-7-2)10(15)8-11(12)16/h8-9H,6-7,16H2,1-5H3
InChIKeyXLYDFQMWGOAVQG-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.43
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine (PubChem CID 63981601) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
PubChem CID63981601
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(N(C)C(C)(C)CC)c(N)cc1F
InChIInChI=1S/C14H23FN2O/c1-6-14(3,4)17(5)12-9-13(18-7-2)10(15)8-11(12)16/h8-9H,6-7,16H2,1-5H3
InChIKeyXLYDFQMWGOAVQG-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.43
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

4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
4-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)benzonitrile
CID 63593061
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594129
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63594476
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63594485
4-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63982027

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine (CID 63981601) is 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine is CCOc1cc(N(C)C(C)(C)CC)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
The InChIKey is XLYDFQMWGOAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-6-14(3,4)17(5)12-9-13(18-7-2)10(15)8-11(12)16/h8-9H,6-7,16H2,1-5H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63981601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).