[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine

C17H17FN2O — CID 117176551

IUPAC[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
SMILESCn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21
InChIInChI=1S/C17H17FN2O/c1-20-15(11-21-16-5-3-14(18)4-6-16)9-13-8-12(10-19)2-7-17(13)20/h2-9H,10-11,19H2,1H3
InChIKeyWQLGOMBPRDVRCL-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.36
Rot. Bonds4

About [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine

[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine (PubChem CID 117176551) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
PubChem CID117176551
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
SMILESCn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21
InChIInChI=1S/C17H17FN2O/c1-20-15(11-21-16-5-3-14(18)4-6-16)9-13-8-12(10-19)2-7-17(13)20/h2-9H,10-11,19H2,1H3
InChIKeyWQLGOMBPRDVRCL-UHFFFAOYSA-N
XLogP3.36
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine (CID 117176551) is [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine is Cn1c(COc2ccc(F)cc2)cc2cc(CN)ccc21.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine?
The InChIKey is WQLGOMBPRDVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20-15(11-21-16-5-3-14(18)4-6-16)9-13-8-12(10-19)2-7-17(13)20/h2-9H,10-11,19H2,1H3.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine?
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine has a molecular weight of 284.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine is sourced from PubChem (CID 117176551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).