2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

C16H19FN2O — CID 63672171

IUPAC2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2ccccc2F)ccc1N
InChIInChI=1S/C16H19FN2O/c1-3-20-16-10-13(8-9-15(16)18)19(2)11-12-6-4-5-7-14(12)17/h4-10H,3,11,18H2,1-2H3
InChIKeyQGDWXFPARZHMEY-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.44
Rot. Bonds5

About 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 63672171) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
PubChem CID63672171
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2ccccc2F)ccc1N
InChIInChI=1S/C16H19FN2O/c1-3-20-16-10-13(8-9-15(16)18)19(2)11-12-6-4-5-7-14(12)17/h4-10H,3,11,18H2,1-2H3
InChIKeyQGDWXFPARZHMEY-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
3-[(4-amino-3-ethoxy-N-methylanilino)methyl]benzonitrile
CID 63675919
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63670329
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (CID 63672171) is 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is CCOc1cc(N(C)Cc2ccccc2F)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is QGDWXFPARZHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-20-16-10-13(8-9-15(16)18)19(2)11-12-6-4-5-7-14(12)17/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 63672171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).