3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine

C16H15FN2O — CID 117181881

IUPAC3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
SMILESCn1cc(COc2ccccc2F)c2cccc(N)c21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(12-5-4-7-14(18)16(12)19)10-20-15-8-3-2-6-13(15)17/h2-9H,10,18H2,1H3
InChIKeyOQEPGYQXKHHTIB-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.48
Rot. Bonds3

About 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine

3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine (PubChem CID 117181881) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
PubChem CID117181881
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
SMILESCn1cc(COc2ccccc2F)c2cccc(N)c21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(12-5-4-7-14(18)16(12)19)10-20-15-8-3-2-6-13(15)17/h2-9H,10,18H2,1H3
InChIKeyOQEPGYQXKHHTIB-UHFFFAOYSA-N
XLogP3.48
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.48
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

3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
(7-fluoro-1-methylindol-3-yl)methanethiol
CID 117182099
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine (CID 117181881) is 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine is Cn1cc(COc2ccccc2F)c2cccc(N)c21.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine?
The InChIKey is OQEPGYQXKHHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19-9-11(12-5-4-7-14(18)16(12)19)10-20-15-8-3-2-6-13(15)17/h2-9H,10,18H2,1H3.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine?
3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine has a molecular weight of 270.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine is sourced from PubChem (CID 117181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).