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

C16H16N2O — CID 117171375

IUPAC3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
SMILESCc1ccc(OCc2c[nH]c3cccc(N)c23)cc1
InChIInChI=1S/C16H16N2O/c1-11-5-7-13(8-6-11)19-10-12-9-18-15-4-2-3-14(17)16(12)15/h2-9,18H,10,17H2,1H3
InChIKeyVSSIOYBPLGSLHW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds3

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

3-[(4-methylphenoxy)methyl]-1H-indol-4-amine (PubChem CID 117171375) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
PubChem CID117171375
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
SMILESCc1ccc(OCc2c[nH]c3cccc(N)c23)cc1
InChIInChI=1S/C16H16N2O/c1-11-5-7-13(8-6-11)19-10-12-9-18-15-4-2-3-14(17)16(12)15/h2-9,18H,10,17H2,1H3
InChIKeyVSSIOYBPLGSLHW-UHFFFAOYSA-N
XLogP3.64
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
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-methoxyphenoxy)methyl]-1H-indol-4-amine
CID 117171412
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
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
CID 117181082
2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
CID 89036380
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
ethyl 3-(4-amino-1H-indol-3-yl)-2-nitropropanoate
CID 10967802

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine?
The IUPAC name of 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine (CID 117171375) is 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine.
What is the SMILES notation for 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine?
The canonical SMILES for 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine is Cc1ccc(OCc2c[nH]c3cccc(N)c23)cc1.
What is the InChIKey of 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine?
The InChIKey is VSSIOYBPLGSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-5-7-13(8-6-11)19-10-12-9-18-15-4-2-3-14(17)16(12)15/h2-9,18H,10,17H2,1H3.
What are the key properties of 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine?
3-[(4-methylphenoxy)methyl]-1H-indol-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenoxy)methyl]-1H-indol-4-amine is sourced from PubChem (CID 117171375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).