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

C11H12FN3 — CID 115127044

IUPAC3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESCN(c1cc[nH]c1)c1cccc(F)c1N
InChIInChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)10-4-2-3-9(12)11(10)13/h2-7,14H,13H2,1H3
InChIKeyQMOJKFFKCCYUIL-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.50
Rot. Bonds2

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

3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (PubChem CID 115127044) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
PubChem CID115127044
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESCN(c1cc[nH]c1)c1cccc(F)c1N
InChIInChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)10-4-2-3-9(12)11(10)13/h2-7,14H,13H2,1H3
InChIKeyQMOJKFFKCCYUIL-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-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492
3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 115127025
2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
CID 115992611

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (CID 115127044) is 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is CN(c1cc[nH]c1)c1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The InChIKey is QMOJKFFKCCYUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15(8-5-6-14-7-8)10-4-2-3-9(12)11(10)13/h2-7,14H,13H2,1H3.
What are the key properties of 3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
3-fluoro-1-N-methyl-1-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-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 115127044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).