2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine

C11H18FN3 — CID 63693587

IUPAC2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyJUNRSOGPWSZAPS-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.41
Rot. Bonds4

About 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 63693587) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
PubChem CID63693587
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyJUNRSOGPWSZAPS-UHFFFAOYSA-N
XLogP1.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.41
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

2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine
CID 155016597
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
4-fluoro-2-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124214
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
N'-(5-fluoro-2-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 90383171
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine (CID 63693587) is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine is CN(C)CCN(C)c1cc(F)ccc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is JUNRSOGPWSZAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 63693587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).