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

C15H13BrN2O — CID 117171390

IUPAC3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(COc3ccc(Br)cc3)c12
InChIInChI=1S/C15H13BrN2O/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
InChIKeyYJMCXQUIPYHLHI-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.09
Rot. Bonds3

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

3-[(4-bromophenoxy)methyl]-1H-indol-4-amine (PubChem CID 117171390) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
PubChem CID117171390
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(COc3ccc(Br)cc3)c12
InChIInChI=1S/C15H13BrN2O/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
InChIKeyYJMCXQUIPYHLHI-UHFFFAOYSA-N
XLogP4.09
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
CID 117171388
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
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
CID 117178531
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
2-[(4-amino-1H-indol-3-yl)oxy]ethanol
CID 69378299
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine (CID 117171390) is 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine is Nc1cccc2[nH]cc(COc3ccc(Br)cc3)c12.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine?
The InChIKey is YJMCXQUIPYHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/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-bromophenoxy)methyl]-1H-indol-4-amine?
3-[(4-bromophenoxy)methyl]-1H-indol-4-amine has a molecular weight of 317.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-1H-indol-4-amine is sourced from PubChem (CID 117171390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).