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

C16H16N2O2 — CID 117171412

IUPAC3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
SMILESCOc1ccc(OCc2c[nH]c3cccc(N)c23)cc1
InChIInChI=1S/C16H16N2O2/c1-19-12-5-7-13(8-6-12)20-10-11-9-18-15-4-2-3-14(17)16(11)15/h2-9,18H,10,17H2,1H3
InChIKeyCAMSJTKKDFAVHS-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.34
Rot. Bonds4

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

3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine (PubChem CID 117171412) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
PubChem CID117171412
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
SMILESCOc1ccc(OCc2c[nH]c3cccc(N)c23)cc1
InChIInChI=1S/C16H16N2O2/c1-19-12-5-7-13(8-6-12)20-10-11-9-18-15-4-2-3-14(17)16(11)15/h2-9,18H,10,17H2,1H3
InChIKeyCAMSJTKKDFAVHS-UHFFFAOYSA-N
XLogP3.34
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
CID 117171375
3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
CID 117171388
3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid;ethane
CID 145142447
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332
2-[(4-amino-1H-indol-3-yl)oxy]ethanol
CID 69378299
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine (CID 117171412) is 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine is COc1ccc(OCc2c[nH]c3cccc(N)c23)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine?
The InChIKey is CAMSJTKKDFAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-12-5-7-13(8-6-12)20-10-11-9-18-15-4-2-3-14(17)16(11)15/h2-9,18H,10,17H2,1H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine?
3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine is sourced from PubChem (CID 117171412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).