2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine

C17H21FN2O — CID 63594129

IUPAC2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCCOc1cc(N(C)c2ccc(C)cc2C)c(N)cc1F
InChIInChI=1S/C17H21FN2O/c1-5-21-17-10-16(14(19)9-13(17)18)20(4)15-7-6-11(2)8-12(15)3/h6-10H,5,19H2,1-4H3
InChIKeyQEHHTJQHECJUNM-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.19
Rot. Bonds4

About 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine

2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 63594129) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
PubChem CID63594129
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCCOc1cc(N(C)c2ccc(C)cc2C)c(N)cc1F
InChIInChI=1S/C17H21FN2O/c1-5-21-17-10-16(14(19)9-13(17)18)20(4)15-7-6-11(2)8-12(15)3/h6-10H,5,19H2,1-4H3
InChIKeyQEHHTJQHECJUNM-UHFFFAOYSA-N
XLogP4.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.19
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
4-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)benzonitrile
CID 63593061
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 63592689
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine (CID 63594129) is 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine is CCOc1cc(N(C)c2ccc(C)cc2C)c(N)cc1F.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is QEHHTJQHECJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-5-21-17-10-16(14(19)9-13(17)18)20(4)15-7-6-11(2)8-12(15)3/h6-10H,5,19H2,1-4H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine?
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 63594129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).