3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine

C16H15FN2O — CID 117171340

IUPAC3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
SMILESCn1cc(COc2cccc(F)c2)c2c(N)cccc21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(16-14(18)6-3-7-15(16)19)10-20-13-5-2-4-12(17)8-13/h2-9H,10,18H2,1H3
InChIKeyTWIVLEPOKXPYAV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.48
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine

3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine (PubChem CID 117171340) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
PubChem CID117171340
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
SMILESCn1cc(COc2cccc(F)c2)c2c(N)cccc21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(16-14(18)6-3-7-15(16)19)10-20-13-5-2-4-12(17)8-13/h2-9H,10,18H2,1H3
InChIKeyTWIVLEPOKXPYAV-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-[(3-fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170908
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine (CID 117171340) is 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine is Cn1cc(COc2cccc(F)c2)c2c(N)cccc21.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine?
The InChIKey is TWIVLEPOKXPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19-9-11(16-14(18)6-3-7-15(16)19)10-20-13-5-2-4-12(17)8-13/h2-9H,10,18H2,1H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine?
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-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-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine is sourced from PubChem (CID 117171340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).