3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine

C16H15FN2O — CID 117171279

IUPAC3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
SMILESCn1cc(COc2ccccc2F)c2c(N)cccc21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(16-13(18)6-4-7-14(16)19)10-20-15-8-3-2-5-12(15)17/h2-9H,10,18H2,1H3
InChIKeyKFOXCFAJECLBGD-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.48
Rot. Bonds3

About 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine

3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine (PubChem CID 117171279) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
PubChem CID117171279
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
SMILESCn1cc(COc2ccccc2F)c2c(N)cccc21
InChIInChI=1S/C16H15FN2O/c1-19-9-11(16-13(18)6-4-7-14(16)19)10-20-15-8-3-2-5-12(15)17/h2-9H,10,18H2,1H3
InChIKeyKFOXCFAJECLBGD-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-7-amine
CID 117181881
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
1,4-dimethyl-3-[[2-(trifluoromethyl)phenoxy]methyl]indole
CID 117184553
1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
CID 117171487
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine (CID 117171279) is 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine is Cn1cc(COc2ccccc2F)c2c(N)cccc21.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine?
The InChIKey is KFOXCFAJECLBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19-9-11(16-13(18)6-4-7-14(16)19)10-20-15-8-3-2-5-12(15)17/h2-9H,10,18H2,1H3.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine?
3-[(2-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-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine is sourced from PubChem (CID 117171279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).