[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine

C14H14FN3 — CID 82386365

IUPAC[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine
SMILESCn1c(CN)ccc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C14H14FN3/c1-18-9(8-16)5-6-14(18)13-7-10-11(15)3-2-4-12(10)17-13/h2-7,17H,8,16H2,1H3
InChIKeyWVKQMIHDQFHYPW-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.77
Rot. Bonds2

About [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine

[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine (PubChem CID 82386365) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine
PubChem CID82386365
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine
SMILESCn1c(CN)ccc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C14H14FN3/c1-18-9(8-16)5-6-14(18)13-7-10-11(15)3-2-4-12(10)17-13/h2-7,17H,8,16H2,1H3
InChIKeyWVKQMIHDQFHYPW-UHFFFAOYSA-N
XLogP2.77
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
CID 105494358
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362
4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole
CID 130177595
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-indole
CID 137113965
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine?
The IUPAC name of [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine (CID 82386365) is [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine.
What is the SMILES notation for [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine?
The canonical SMILES for [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine is Cn1c(CN)ccc1-c1cc2c(F)cccc2[nH]1.
What is the InChIKey of [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine?
The InChIKey is WVKQMIHDQFHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-18-9(8-16)5-6-14(18)13-7-10-11(15)3-2-4-12(10)17-13/h2-7,17H,8,16H2,1H3.
What are the key properties of [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine?
[5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-1H-indol-2-yl)-1-methylpyrrol-2-yl]methanamine is sourced from PubChem (CID 82386365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).