4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine

C13H20FN3 — CID 63206874

IUPAC4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
SMILESCN(CCN1CCCC1)c1cc(F)ccc1N
InChIInChI=1S/C13H20FN3/c1-16(8-9-17-6-2-3-7-17)13-10-11(14)4-5-12(13)15/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyZVGLINACFOPGBR-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.94
Rot. Bonds4

About 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine (PubChem CID 63206874) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
PubChem CID63206874
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
SMILESCN(CCN1CCCC1)c1cc(F)ccc1N
InChIInChI=1S/C13H20FN3/c1-16(8-9-17-6-2-3-7-17)13-10-11(14)4-5-12(13)15/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyZVGLINACFOPGBR-UHFFFAOYSA-N
XLogP1.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.94
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

5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63207861
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 63207002
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63594485
3-N,4-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 63206743
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
CID 79826659
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine (CID 63206874) is 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine is CN(CCN1CCCC1)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
The InChIKey is ZVGLINACFOPGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-16(8-9-17-6-2-3-7-17)13-10-11(14)4-5-12(13)15/h4-5,10H,2-3,6-9,15H2,1H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine has a molecular weight of 237.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 63206874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).