1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine

C17H15FN2 — CID 144924000

IUPAC1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
SMILESC/N=C/c1cc(-c2c[nH]c3cc(F)ccc23)ccc1C
InChIInChI=1S/C17H15FN2/c1-11-3-4-12(7-13(11)9-19-2)16-10-20-17-8-14(18)5-6-15(16)17/h3-10,20H,1-2H3/b19-9+
InChIKeyXRDSMWQTNMHKSQ-DJKKODMXSA-N
MW266.32 g/mol
LogP4.33
Rot. Bonds2

About 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine

1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine (PubChem CID 144924000) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
PubChem CID144924000
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
SMILESC/N=C/c1cc(-c2c[nH]c3cc(F)ccc23)ccc1C
InChIInChI=1S/C17H15FN2/c1-11-3-4-12(7-13(11)9-19-2)16-10-20-17-8-14(18)5-6-15(16)17/h3-10,20H,1-2H3/b19-9+
InChIKeyXRDSMWQTNMHKSQ-DJKKODMXSA-N
XLogP4.33
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529278
N-[4-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-2-methylbutanethioamide
CID 144924060
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine
CID 144923888
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118382430
6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118400716
2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol
CID 126584312

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine?
The IUPAC name of 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine (CID 144924000) is 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine?
The canonical SMILES for 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine is C/N=C/c1cc(-c2c[nH]c3cc(F)ccc23)ccc1C.
What is the InChIKey of 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine?
The InChIKey is XRDSMWQTNMHKSQ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15FN2/c1-11-3-4-12(7-13(11)9-19-2)16-10-20-17-8-14(18)5-6-15(16)17/h3-10,20H,1-2H3/b19-9+.
What are the key properties of 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine?
1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine has a molecular weight of 266.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine is sourced from PubChem (CID 144924000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).