3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine

C15H13FN2O — CID 117171388

IUPAC3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(COc3ccc(F)cc3)c12
InChIInChI=1S/C15H13FN2O/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9,17H2
InChIKeyOEIIEOZDSJZGME-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.47
Rot. Bonds3

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

3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine (PubChem CID 117171388) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
PubChem CID117171388
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(COc3ccc(F)cc3)c12
InChIInChI=1S/C15H13FN2O/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9,17H2
InChIKeyOEIIEOZDSJZGME-UHFFFAOYSA-N
XLogP3.47
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
CID 117171375
3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
CID 117171412
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181553
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
2-[4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 68898562
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine (CID 117171388) is 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine is Nc1cccc2[nH]cc(COc3ccc(F)cc3)c12.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine?
The InChIKey is OEIIEOZDSJZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-4-6-12(7-5-11)19-9-10-8-18-14-3-1-2-13(17)15(10)14/h1-8,18H,9,17H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine?
3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine has a molecular weight of 256.28 g/mol, XLogP of 3.47, 3 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-4-amine is sourced from PubChem (CID 117171388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).