1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine

C12H20FN3O — CID 107259174

IUPAC1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCN(C)CCNc1cc(OC)c(N)cc1F
InChIInChI=1S/C12H20FN3O/c1-4-16(2)6-5-15-11-8-12(17-3)10(14)7-9(11)13/h7-8,15H,4-6,14H2,1-3H3
InChIKeyWEJWUVVUEXDLJP-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.78
Rot. Bonds6

About 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259174) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259174
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCN(C)CCNc1cc(OC)c(N)cc1F
InChIInChI=1S/C12H20FN3O/c1-4-16(2)6-5-15-11-8-12(17-3)10(14)7-9(11)13/h7-8,15H,4-6,14H2,1-3H3
InChIKeyWEJWUVVUEXDLJP-UHFFFAOYSA-N
XLogP1.78
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
N'-ethyl-N-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 143024311
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
2-fluoro-1-N-[3-(1H-imidazol-2-yl)propyl]-5-methoxybenzene-1,4-diamine
CID 107259623
N'-ethyl-N-(5-methoxy-2-methyl-4-pyridinyl)-N'-methylethane-1,2-diamine
CID 106660479
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259174) is 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine is CCN(C)CCNc1cc(OC)c(N)cc1F.
What is the InChIKey of 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is WEJWUVVUEXDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-16(2)6-5-15-11-8-12(17-3)10(14)7-9(11)13/h7-8,15H,4-6,14H2,1-3H3.
What are the key properties of 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 241.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).