[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine

C16H15FN2O — CID 117178283

IUPAC[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
SMILESNCc1ccc2c(COc3ccc(F)cc3)c[nH]c2c1
InChIInChI=1S/C16H15FN2O/c17-13-2-4-14(5-3-13)20-10-12-9-19-16-7-11(8-18)1-6-15(12)16/h1-7,9,19H,8,10,18H2
InChIKeyPDHNKHPCVWQASH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.34
Rot. Bonds4

About [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine

[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine (PubChem CID 117178283) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
PubChem CID117178283
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
SMILESNCc1ccc2c(COc3ccc(F)cc3)c[nH]c2c1
InChIInChI=1S/C16H15FN2O/c17-13-2-4-14(5-3-13)20-10-12-9-19-16-7-11(8-18)1-6-15(12)16/h1-7,9,19H,8,10,18H2
InChIKeyPDHNKHPCVWQASH-UHFFFAOYSA-N
XLogP3.34
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
(3-ethyl-1H-indol-6-yl)methanamine
CID 115014328
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
3-[[5-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117174903
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
CID 117178531
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
CID 117171388
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine?
The IUPAC name of [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine (CID 117178283) is [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine.
What is the SMILES notation for [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine?
The canonical SMILES for [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine is NCc1ccc2c(COc3ccc(F)cc3)c[nH]c2c1.
What is the InChIKey of [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine?
The InChIKey is PDHNKHPCVWQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-2-4-14(5-3-13)20-10-12-9-19-16-7-11(8-18)1-6-15(12)16/h1-7,9,19H,8,10,18H2.
What are the key properties of [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine?
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine has a molecular weight of 270.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine is sourced from PubChem (CID 117178283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).