3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine

C11H12FN3 — CID 115125688

IUPAC3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESCN(c1cc[nH]c1)c1c(N)cccc1F
InChIInChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)11-9(12)3-2-4-10(11)13/h2-7,14H,13H2,1H3
InChIKeyBHJLGQLBDXBDLJ-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.50
Rot. Bonds2

About 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine

3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (PubChem CID 115125688) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
PubChem CID115125688
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESCN(c1cc[nH]c1)c1c(N)cccc1F
InChIInChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)11-9(12)3-2-4-10(11)13/h2-7,14H,13H2,1H3
InChIKeyBHJLGQLBDXBDLJ-UHFFFAOYSA-N
XLogP2.50
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115127044
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115125708
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
CID 130526445
3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
CID 130949216
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (CID 115125688) is 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is CN(c1cc[nH]c1)c1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The InChIKey is BHJLGQLBDXBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)11-9(12)3-2-4-10(11)13/h2-7,14H,13H2,1H3.
What are the key properties of 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine has a molecular weight of 205.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 115125688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).